Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-5-carbamoyl-4-methylthiophene-3-carboxylate
Catalog ID
STK467993
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)sc(c1C)C(=O)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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-6-28-21(27)17-13(2)18(19(23)26)29-20(17)24-16(25)12-9-14-7-10-15(11-8-14)22(3,4)5/h7-12H,6H2,1-5H3,(H2,23,26)(H,24,25)/b12-9+InChIKey
SMNNAYHIPICRGA-FMIVXFBMSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C=CC2=CC=C(C=C2)C(C)(C)C
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc(c1C)C(=O)N
ethyl2(((2E)3(4tertbutylphenyl)prop2enoyl)amino)5carbamoyl4methylthiophene3carboxylate
ETHYL2(((E)3(4TERTBUTYLPHENYL)PROP2ENOYL)AMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)3(4(TERTBUTYL)PHENYL)PROP2ENOYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H26N2O4Sc162821(27)1713(2)18(19(23)26)2920(17)2416(25)1291471015(11814)22(34)5h712H6H215H3(H22326)(H2425)b129+
MFCD03385544
ZINC000006047004
ZINC06047004
ZINC6047004
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