Vitas-M small molecule compound
ethyl 4-(4-chlorophenyl)-2-{[(2E)-2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK740127
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)C(=O)OCC)/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 C30H23ClN2O6S MW 575.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN2O6S/c1-3-37-29(35)20-7-5-19(6-8-20)25-14-13-23(39-25)15-21(16-32)27(34)33-28-26(30(36)38-4-2)24(17-40-28)18-9-11-22(31)12-10-18/h5-15,17H,3-4H2,1-2H3,(H,33,34)/b21-15+InChIKey
ZARIXUPDZSUAFE-RCCKNPSSSA-NSynonyms
(E)ethyl4(4chlorophenyl)2(2cyano3(5(4(ethoxycarbonyl)phenyl)furan2yl)acrylamido)thiophene3carboxylate
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)OCC
CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)C(=Cc1ccc(o1)c1ccc(cc1)C(=O)OCC)C#N
ETHYL2((2E)2CYANO3(5(4(ETHOXYCARBONYL)PHENYL)(2FURYL))PROP2ENOYLAMINO)4(4CHLOROPHENYL)THIOPHENE3CARBOXYLATE
ethyl4(4chlorophenyl)2(((2E)2cyano3(5(4(ethoxycarbonyl)phenyl)furan2yl)prop2enoyl)amino)thiophene3carboxylate
ETHYL4(4CHLOROPHENYL)2(((E)2CYANO3(5(4ETHOXYCARBONYLPHENYL)FURAN2YL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC30H23ClN2O6Sc133729(35)207519(6820)25141323(3925)1521(1632)27(34)332826(30(36)3842)24(174028)1891122(31)121018h51517H34H212H3(H3334)b2115+
MFCD02957017
ZINC000097968638
ZINC97968638
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