Vitas-M small molecule compound
methyl 2-chloro-5-({[(5E)-5-(3-hydroxy-4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoate
Catalog ID
STK120824
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CN1C(=O)S/C(=C/c2ccc(c(c2)O)OC)/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 C21H17ClN2O7S MW 476.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O7S/c1-30-16-6-3-11(7-15(16)25)8-17-19(27)24(21(29)32-17)10-18(26)23-12-4-5-14(22)13(9-12)20(28)31-2/h3-9,25H,10H2,1-2H3,(H,23,26)/b17-8+InChIKey
HOZORWVPHGBFAU-CAOOACKPSA-NSynonyms
COC(=O)c1cc(ccc1Cl)NC(=O)CN1C(=O)SC(=Cc2ccc(c(c2)O)OC)C1=O
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC)O
InChI=1SC21H17ClN2O7Sc130166311(715(16)25)81719(27)24(21(29)3217)1018(26)23124514(22)13(912)20(28)312h3925H10H212H3(H2326)b178+
METHYL2CHLORO5((((5E)5(3HYDROXY4METHOXYBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETYL)AMINO)BENZOATE
methyl2chloro5((2((5E)5((3hydroxy4methoxyphenyl)methylidene)24dioxo13thiazolidin3yl)acetyl)amino)benzoate
MFCD04128873
ZINC000009234186
ZINC09234186
ZINC9234186
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