Vitas-M small molecule compound
3-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
Catalog ID
STK994277
SMILES CCc1ccc(cc1)/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 C21H19N3O5S2 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5S2/c1-2-13-3-5-14(6-4-13)11-18-20(27)23(21(30)31-18)10-9-19(26)22-16-12-15(24(28)29)7-8-17(16)25/h3-8,11-12,25H,2,9-10H2,1H3,(H,22,26)/b18-11-InChIKey
YIPZIGIXNVQXOI-WQRHYEAKSA-NSynonyms
3((5Z)5((4ETHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(2HYDROXY5NITROPHENYL)PROPANAMIDE
3((5Z)5(4ethylbenzylidene)4oxo2thioxo13thiazolidin3yl)N(2hydroxy5nitrophenyl)propanamide
3(5((4ETHYLPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(2HYDROXY5NITROPHENYL)PROPANAMIDE
CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=C(C=CC(=C3)(N+)(=O)(O))O
CCc1ccc(cc1)C=C1SC(=S)N(C1=O)CCC(=O)Nc1cc(ccc1O)(N+)(=O)(O)
InChI=1SC21H19N3O5S2c12133514(6413)111820(27)23(21(30)3118)10919(26)22161215(24(28)29)7817(16)25h38111225H2910H21H3(H2226)b1811
MFCD02330933
ZINC000036094401
ZINC36094401
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