Vitas-M small molecule compound

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

Catalog ID
STK739802
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)/C(=C/c1ccc(cc1)OC)/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 C25H22N2O4S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4S/c1-4-31-25(29)22-21(18-9-5-16(2)6-10-18)15-32-24(22)27-23(28)19(14-26)13-17-7-11-20(30-3)12-8-17/h5-13,15H,4H2,1-3H3,(H,27,28)/b19-13+
InChIKey
LSHLEJRMJYGOHL-CPNJWEJPSA-N
Synonyms
327075-71-8
(E)ethyl2(2cyano3(4methoxyphenyl)acrylamido)4(ptolyl)thiophene3carboxylate
327075718
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C(=CC3=CC=C(C=C3)OC)C#N
CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)C(=Cc1ccc(cc1)OC)C#N
ethyl2(((2E)2cyano3(4methoxyphenyl)prop2enoyl)amino)4(4methylphenyl)thiophene3carboxylate
ETHYL2(((E)2CYANO3(4METHOXYPHENYL)PROP2ENOYL)AMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(4METHOXYPHENYL)PROP2ENOYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC25H22N2O4Sc143125(29)2221(189516(2)61018)153224(22)2723(28)19(1426)131771120(303)12817h51315H4H213H3(H2728)b1913+
MFCD01955445
ZINC000001261071
ZINC01261071
ZINC1261071

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Available files

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