Vitas-M small molecule compound
3-[(5Z)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
Catalog ID
STK994611
SMILES COc1cc(ccc1OC)/C=C/1\SC(=S)N(C1=O)CCC(=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 C21H19N3O7S2 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O7S2/c1-30-16-6-3-12(9-17(16)31-2)10-18-20(27)23(21(32)33-18)8-7-19(26)22-14-11-13(24(28)29)4-5-15(14)25/h3-6,9-11,25H,7-8H2,1-2H3,(H,22,26)/b18-10-InChIKey
ILNFASYKQCZQKK-ZDLGFXPLSA-NSynonyms
3((5Z)5((34DIMETHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(2HYDROXY5NITROPHENYL)PROPANAMIDE
3((5Z)5(34dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)N(2hydroxy5nitrophenyl)propanamide
3(5((34DIMETHOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(2HYDROXY5NITROPHENYL)PROPANAMIDE
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=C(C=CC(=C3)(N+)(=O)(O))O)OC
COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)CCC(=O)Nc1cc(ccc1O)(N+)(=O)(O)
InChI=1SC21H19N3O7S2c130166312(917(16)312)101820(27)23(21(32)3318)8719(26)22141113(24(28)29)4515(14)25h3691125H78H212H3(H2226)b1810
MFCD02655357
ZINC000035984024
ZINC35984024
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.