Vitas-M small molecule compound
2-[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)acetamide
Catalog ID
STL035937
SMILES COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1cc(ccc1O)[N+](=O)[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 C20H17N3O7S2 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O7S2/c1-29-15-6-3-11(7-16(15)30-2)8-17-19(26)22(20(31)32-17)10-18(25)21-13-9-12(23(27)28)4-5-14(13)24/h3-9,24H,10H2,1-2H3,(H,21,25)/b17-8+InChIKey
AJLBGRPAGSZHKW-CAOOACKPSA-NSynonyms
2((5E)5((34dimethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)N(2hydroxy5nitrophenyl)acetamide
2((5E)5(34dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)N(2hydroxy5nitrophenyl)acetamide
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=C(C=CC(=C3)(N+)(=O)(O))O)OC
COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)CC(=O)Nc1cc(ccc1O)(N+)(=O)(O)
InChI=1SC20H17N3O7S2c129156311(716(15)302)81719(26)22(20(31)3217)1018(25)2113912(23(27)28)4514(13)24h3924H10H212H3(H2125)b178+
MFCD18192260
ZINC000027530617
ZINC27530617
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