ZINC 12

User Information

Page Size:

Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

• 1609486

Parameters Provided:

name.synonym = 3-(Ethyl(3-methylphenyl)amino)propanenitrile; 3-(N-Ethyl-m-toluidino)propionitrite; 3-(N-Ethyl-m-toluidino)propiononitrile; BRN 2211104; EINECS 205-721-6; LS-120870; N-(2-Cyanoethyl)-N-ethyl-m-toluidine; N-Ethylcyano-N-ethyl-m-toluidine; NSC 93794; Propan
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '3-(Ethyl(3-methylphenyl)amino)propanenitrile; 3-(N-Ethyl-m-toluidino)propionitrite; 3-(N-Ethyl-m-toluidino)propiononitrile; BRN 2211104; EINECS 205-721-6; LS-120870; N-(2-Cyanoethyl)-N-ethyl-m-toluidine; N-Ethylcyano-N-ethyl-m-toluidine; NSC 93794; Propan' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?name.synonym=3-%28Ethyl%283-methylphenyl%29amino%29propanenitrile%3B+3-%28N-Ethyl-m-toluidino%29propionitrite%3B+3-%28N-Ethyl-m-toluidino%29propiononitrile%3B+BRN+2211104%3B+EINECS+205-721-6%3B+LS-120870%3B+N-%282-Cyanoethyl%29-N-ethyl-m-toluidine%3B+N-Ethylcyano-N-ethyl-m-toluidine%3B+NSC+93794%3B+Propan&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "3-(Ethyl(3-methylphenyl)amino)propanenitrile; 3-(N-Ethyl-m-toluidino)propionitrite; 3-(N-Ethyl-m-toluidino)propiononitrile; BRN 2211104; EINECS 205-721-6; LS-120870; N-(2-Cyanoethyl)-N-ethyl-m-toluidine; N-Ethylcyano-N-ethyl-m-toluidine; NSC 93794; Propan" }); </script>