Vitas-M small molecule compound

propyl 4-({(E)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate

Catalog ID
STK878514
SMILES CCCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1Cl)Cl)\C#N

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H17Cl2N3O2S MW 458.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Cl2N3O2S/c1-2-9-29-22(28)14-3-6-17(7-4-14)26-12-15(11-25)21-27-20(13-30-21)18-8-5-16(23)10-19(18)24/h3-8,10,12-13,26H,2,9H2,1H3/b15-12+
InChIKey
BGEUKUZRKWNSMR-NTCAYCPXSA-N
Synonyms

CCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl
CCCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1ccc(cc1Cl)Cl)C#N
InChI=1SC22H17Cl2N3O2Sc1292922(28)143617(7414)261215(1125)212720(133021)188516(23)1019(18)24h3810121326H29H21H3b1512+
MFCD18170337
propyl4(((E)2cyano2(4(24dichlorophenyl)13thiazol2yl)ethenyl)amino)benzoate
ZINC000040476973
ZINC40476973

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.