Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK447687
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)sc(c1C)C(=O)N(CC)CC
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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 C26H34N2O4S MW 470.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O4S/c1-8-28(9-2)24(30)22-17(4)21(25(31)32-10-3)23(33-22)27-20(29)16-13-18-11-14-19(15-12-18)26(5,6)7/h11-16H,8-10H2,1-7H3,(H,27,29)/b16-13+InChIKey
LIGKZOKNXQXYIG-DTQAZKPQSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)C
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc(c1C)C(=O)N(CC)CC
ethyl2(((2E)3(4tertbutylphenyl)prop2enoyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
ETHYL2(((E)3(4TERTBUTYLPHENYL)PROP2ENOYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)3(4(TERTBUTYL)PHENYL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC26H34N2O4Sc1828(92)24(30)2217(4)21(25(31)32103)23(3322)2720(29)161318111419(151218)26(56)7h1116H810H217H3(H2729)b1613+
MFCD01341472
ZINC000020608575
ZINC20608575
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