Vitas-M small molecule compound

ethyl 2-{[(2E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]amino}-4-phenylthiophene-3-carboxylate

Catalog ID
STK739860
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(=O)/C(=C/c1ccc(cc1)C)/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 C24H20N2O3S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O3S/c1-3-29-24(28)21-20(18-7-5-4-6-8-18)15-30-23(21)26-22(27)19(14-25)13-17-11-9-16(2)10-12-17/h4-13,15H,3H2,1-2H3,(H,26,27)/b19-13+
InChIKey
QBSMJQCMEQVQQE-CPNJWEJPSA-N
Synonyms

(E)ethyl2(2cyano3(ptolyl)acrylamido)4phenylthiophene3carboxylate
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(C=C3)C)C#N
CCOC(=O)c1c(scc1c1ccccc1)NC(=O)C(=Cc1ccc(cc1)C)C#N
ethyl2(((2E)2cyano3(4methylphenyl)prop2enoyl)amino)4phenylthiophene3carboxylate
ETHYL2(((E)2CYANO3(4METHYLPHENYL)PROP2ENOYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(4METHYLPHENYL)PROP2ENOYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H20N2O3Sc132924(28)2120(187546818)153023(21)2622(27)19(1425)131711916(2)101217h41315H3H212H3(H2627)b1913+
MFCD01960611
ZINC000001453702
ZINC01453702
ZINC1453702

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Available files

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