Vitas-M small molecule compound
ethyl 5-(diethylcarbamoyl)-4-methyl-2-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}amino)thiophene-3-carboxylate
Catalog ID
STK429061
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)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 C25H32N2O4S MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O4S/c1-7-27(8-2)24(29)22-17(6)21(25(30)31-9-3)23(32-22)26-20(28)15-12-18-10-13-19(14-11-18)16(4)5/h10-16H,7-9H2,1-6H3,(H,26,28)/b15-12+InChIKey
BSKXPCKBKYESEZ-NTCAYCPXSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)C(C)C)C(=O)OCC)C
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)C(C)C)sc(c1C)C(=O)N(CC)CC
ETHYL2((2E)3(4(METHYLETHYL)PHENYL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ethyl5(diethylcarbamoyl)4methyl2(((2E)3(4(propan2yl)phenyl)prop2enoyl)amino)thiophene3carboxylate
ETHYL5(DIETHYLCARBAMOYL)4METHYL2(((E)3(4PROPAN2YLPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC25H32N2O4Sc1727(82)24(29)2217(6)21(25(30)3193)23(3222)2620(28)151218101319(141118)16(4)5h1016H79H216H3(H2628)b1512+
MFCD01354330
ZINC000001218008
ZINC01218008
ZINC1218008
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