Vitas-M small molecule compound
2-[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide
Catalog ID
STL035932
SMILES COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1ccccc1[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 C20H17N3O6S2 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6S2/c1-28-15-8-7-12(9-16(15)29-2)10-17-19(25)22(20(30)31-17)11-18(24)21-13-5-3-4-6-14(13)23(26)27/h3-10H,11H2,1-2H3,(H,21,24)/b17-10+InChIKey
DZXPSOZYRKENRN-LICLKQGHSA-NSynonyms
2((5E)5((34dimethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)N(2nitrophenyl)acetamide
2((5E)5(34dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)N(2nitrophenyl)acetamide
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CC=CC=C3(N+)(=O)(O))OC
COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)CC(=O)Nc1ccccc1(N+)(=O)(O)
InChI=1SC20H17N3O6S2c128158712(916(15)292)101719(25)22(20(30)3117)1118(24)2113534614(13)23(26)27h310H11H212H3(H2124)b1710+
MFCD18192255
ZINC000027530608
ZINC27530608
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