Vitas-M small molecule compound

3-(5-{(Z)-[4-(ethoxycarbonyl)-5-[(4-methoxyphenyl)amino]-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STL416067
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2ccc(o2)c2cccc(c2)C(=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)27-17-7-9-18(32-2)10-8-17)14-19-11-12-20(34-19)15-5-4-6-16(13-15)25(29)30/h4-14,27H,3H2,1-2H3,(H,29,30)/b21-14-
InChIKey
TVVQUJIZBBGIRD-STZFKDTASA-N
Synonyms

3(5((Z)(4(ethoxycarbonyl)5((4methoxyphenyl)amino)3oxothiophen2(3H)ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(4ethoxycarbonyl5(4methoxyanilino)3oxothiophen2ylidene)methyl)furan2yl)benzoicacid
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C1=O)NC4=CC=C(C=C4)OC
InChI=1SC26H21NO7Sc133326(31)2223(28)21(3524(22)27177918(322)10817)1419111220(3419)1554616(1315)25(29)30h41427H3H212H3(H2930)b2114
MFCD02803475
ZINC000220957907
ZINC220957907

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Available files

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