Vitas-M small molecule compound
2-hydroxy-5-[(5E)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzoic acid
Catalog ID
STK926494
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(c(c2)C(=O)O)O)cc(c1OC)OC
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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 C20H17NO7S2 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO7S2/c1-26-14-6-10(7-15(27-2)17(14)28-3)8-16-18(23)21(20(29)30-16)11-4-5-13(22)12(9-11)19(24)25/h4-9,22H,1-3H3,(H,24,25)/b16-8+InChIKey
LSVSTYRQLIDEMX-LZYBPNLTSA-NSynonyms
2hydroxy5((5E)4oxo2sulfanylidene5((345trimethoxyphenyl)methylidene)13thiazolidin3yl)benzoicacid
2hydroxy5((5E)4oxo2thioxo5(345trimethoxybenzylidene)13thiazolidin3yl)benzoicacid
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)O)C(=O)O
COc1cc(C=C2SC(=S)N(C2=O)c2ccc(c(c2)C(=O)O)O)cc(c1OC)OC
InChI=1SC20H17NO7S2c12614610(715(272)17(14)283)81618(23)21(20(29)3016)114513(22)12(911)19(24)25h4922H13H3(H2425)b168+
MFCD18175960
ZINC000027530378
ZINC27530378
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