Vitas-M small molecule compound
4-{(Z)-[3-(2-{[4-chloro-3-(ethoxycarbonyl)phenyl]amino}-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Catalog ID
STL375979
SMILES CCOC(=O)c1cc(ccc1Cl)NC(=O)CN1C(=O)S/C(=C\c2ccc(cc2)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 C22H17ClN2O7S MW 488.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O7S/c1-2-32-21(30)15-10-14(7-8-16(15)23)24-18(26)11-25-19(27)17(33-22(25)31)9-12-3-5-13(6-4-12)20(28)29/h3-10H,2,11H2,1H3,(H,24,26)(H,28,29)/b17-9-InChIKey
RIINKFBBNVRAFM-MFOYZWKCSA-NSynonyms
4((Z)(3(2((4chloro3(ethoxycarbonyl)phenyl)amino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)benzoicacid
4((Z)(3(2(4chloro3ethoxycarbonylanilino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)benzoicacid
CCOC(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=O)Cl
CCOC(=O)c1cc(ccc1Cl)NC(=O)CN1C(=O)SC(=Cc2ccc(cc2)C(=O)O)C1=O
InChI=1SC22H17ClN2O7Sc123221(30)151014(7816(15)23)2418(26)112519(27)17(3322(25)31)9123513(6412)20(28)29h310H211H21H3(H2426)(H2829)b179
MFCD04312723
ZINC000098086804
ZINC98086804
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