Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate

Catalog ID
STK740155
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)/C(=C/c1ccc(cc1)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 C24H19ClN2O3S MW 450.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O3S/c1-3-30-24(29)21-20(17-8-4-15(2)5-9-17)14-31-23(21)27-22(28)18(13-26)12-16-6-10-19(25)11-7-16/h4-12,14H,3H2,1-2H3,(H,27,28)/b18-12+
InChIKey
HBZXSRGCMHEAGO-LDADJPATSA-N
Synonyms
373616-34-3
(E)ethyl2(3(4chlorophenyl)2cyanoacrylamido)4(ptolyl)thiophene3carboxylate
373616343
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C(=CC3=CC=C(C=C3)Cl)C#N
CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)C(=Cc1ccc(cc1)Cl)C#N
ethyl2(((2E)3(4chlorophenyl)2cyanoprop2enoyl)amino)4(4methylphenyl)thiophene3carboxylate
ETHYL2(((E)3(4CHLOROPHENYL)2CYANOPROP2ENOYL)AMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2E)3(4CHLOROPHENYL)2CYANOPROP2ENOYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC24H19ClN2O3Sc133024(29)2120(178415(2)5917)143123(21)2722(28)18(1326)121661019(25)11716h41214H3H212H3(H2728)b1812+
MFCD01948432
ZINC000002281474
ZINC02281474
ZINC2281474

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Available files

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