Vitas-M small molecule compound
3-({[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]acetyl}amino)benzoic acid
Catalog ID
STK994187
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)CC(=O)Nc2cccc(c2)C(=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 C22H20N2O7S2 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7S2/c1-29-15-7-12(8-16(30-2)19(15)31-3)9-17-20(26)24(22(32)33-17)11-18(25)23-14-6-4-5-13(10-14)21(27)28/h4-10H,11H2,1-3H3,(H,23,25)(H,27,28)/b17-9-InChIKey
OVCXPCJGAOXUKL-MFOYZWKCSA-NSynonyms
3((((5Z)4oxo2thioxo5(345trimethoxybenzylidene)13thiazolidin3yl)acetyl)amino)benzoicacid
3((2((5Z)4OXO2SULFANYLIDENE5((345TRIMETHOXYPHENYL)METHYLIDENE)13THIAZOLIDIN3YL)ACETYL)AMINO)BENZOICACID
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CC=CC(=C3)C(=O)O
COc1cc(C=C2SC(=S)N(C2=O)CC(=O)Nc2cccc(c2)C(=O)O)cc(c1OC)OC
InChI=1SC22H20N2O7S2c12915712(816(302)19(15)313)91720(26)24(22(32)3317)1118(25)231464513(1014)21(27)28h410H11H213H3(H2325)(H2728)b179
MFCD02077937
ZINC000016901431
ZINC16901431
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