Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
Catalog ID
STL035928
SMILES COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2
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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 C21H18N2O6S2 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6S2/c1-26-14-5-3-12(7-16(14)27-2)8-18-20(25)23(21(30)31-18)10-19(24)22-13-4-6-15-17(9-13)29-11-28-15/h3-9H,10-11H2,1-2H3,(H,22,24)/b18-8+InChIKey
XOZYPLHRQMRWSZ-QGMBQPNBSA-NSynonyms
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CC4=C(C=C3)OCO4)OC
COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2
InChI=1SC21H18N2O6S2c126145312(716(14)272)81820(25)23(21(30)3118)1019(24)2213461517(913)29112815h39H1011H212H3(H2224)b188+
MFCD18192251
N(13benzodioxol5yl)2((5E)5((34dimethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetamide
N(13benzodioxol5yl)2((5E)5(34dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)acetamide
ZINC000027530604
ZINC27530604
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