Vitas-M small molecule compound
(2-{(Z)-[4-(ethoxycarbonyl)-5-[(4-methylphenyl)amino]-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STL374716
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccccc2OCC(=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 C23H21NO6S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO6S/c1-3-29-23(28)20-21(27)18(31-22(20)24-16-10-8-14(2)9-11-16)12-15-6-4-5-7-17(15)30-13-19(25)26/h4-12,24H,3,13H2,1-2H3,(H,25,26)/b18-12-InChIKey
LCJSSAROMZUTKQ-PDGQHHTCSA-NSynonyms
(2((4(ETHOXYCARBONYL)3OXO5(4TOLUIDINO)2(3H)THIENYLIDENE)METHYL)PHENOXY)ACETICACID
(2((Z)(4(ethoxycarbonyl)5((4methylphenyl)amino)3oxothiophen2(3H)ylidene)methyl)phenoxy)aceticacid
2(2((Z)(4ETHOXYCARBONYL5(4METHYLANILINO)3OXOTHIOPHEN2YLIDENE)METHYL)PHENOXY)ACETICACID
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccccc2OCC(=O)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2OCC(=O)O)C1=O)NC3=CC=C(C=C3)C
InChI=1SC23H21NO6Sc132923(28)2021(27)18(3122(20)241610814(2)91116)1215645717(15)301319(25)26h41224H313H212H3(H2526)b1812
MFCD02799824
ZINC000008436853
ZINC8436853
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