Vitas-M small molecule compound
2-(5-{(Z)-[4-(ethoxycarbonyl)-5-[(4-methoxyphenyl)amino]-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL374746
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2ccc(o2)c2ccccc2C(=O)O)/C1=O
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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 C26H21NO7S MW 491.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO7S/c1-3-33-26(31)22-23(28)21(35-24(22)27-15-8-10-16(32-2)11-9-15)14-17-12-13-20(34-17)18-6-4-5-7-19(18)25(29)30/h4-14,27H,3H2,1-2H3,(H,29,30)/b21-14-InChIKey
HTJSHKHRSFPCAW-STZFKDTASA-NSynonyms
2(5((4(ETHOXYCARBONYL)5((4METHOXYPHENYL)AMINO)3OXO2THIENYLIDENE)METHYL)2FURYL)BENZOICACID
2(5((Z)(4(ethoxycarbonyl)5((4methoxyphenyl)amino)3oxothiophen2(3H)ylidene)methyl)furan2yl)benzoicacid
2(5((Z)(4ethoxycarbonyl5(4methoxyanilino)3oxothiophen2ylidene)methyl)furan2yl)benzoicacid
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(o2)c2ccccc2C(=O)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)O)C1=O)NC4=CC=C(C=C4)OC
InChI=1SC26H21NO7Sc133326(31)2223(28)21(3524(22)271581016(322)11915)1417121320(3417)18645719(18)25(29)30h41427H3H212H3(H2930)b2114
MFCD02803356
ZINC000008438459
ZINC8438459
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