Vitas-M small molecule compound
ethyl 4-(4-chlorophenyl)-2-({(2E)-2-cyano-3-[2-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)thiophene-3-carboxylate
Catalog ID
STK949796
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)/C(=C/c1ccccc1OC(C)C)/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 C26H23ClN2O4S MW 495.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O4S/c1-4-32-26(31)23-21(17-9-11-20(27)12-10-17)15-34-25(23)29-24(30)19(14-28)13-18-7-5-6-8-22(18)33-16(2)3/h5-13,15-16H,4H2,1-3H3,(H,29,30)/b19-13+InChIKey
PYKQMBYMPCUVGQ-CPNJWEJPSA-NSynonyms
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C(=CC3=CC=CC=C3OC(C)C)C#N
CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)C(=Cc1ccccc1OC(C)C)C#N
ETHYL2((2E)2CYANO3(2(METHYLETHOXY)PHENYL)PROP2ENOYLAMINO)4(4CHLOROPHENYL)THIOPHENE3CARBOXYLATE
ethyl4(4chlorophenyl)2(((2E)2cyano3(2(propan2yloxy)phenyl)prop2enoyl)amino)thiophene3carboxylate
ETHYL4(4CHLOROPHENYL)2(((E)2CYANO3(2PROPAN2YLOXYPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC26H23ClN2O4Sc143226(31)2321(1791120(27)121017)153425(23)2924(30)19(1428)1318756822(18)3316(2)3h5131516H4H213H3(H2930)b1913+
MFCD02957116
ZINC000002670131
ZINC02670131
ZINC2670131
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