Vitas-M small molecule compound
4-{(Z)-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Catalog ID
STK701386
SMILES S=C1S/C(=C\c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])/C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C
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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 C28H20N4O6S2 MW 572.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O6S2/c1-17-24(26(34)31(29(17)2)20-8-4-3-5-9-20)30-25(33)23(40-28(30)39)15-18-11-13-22(14-12-18)38-27(35)19-7-6-10-21(16-19)32(36)37/h3-16H,1-2H3/b23-15-InChIKey
MXFWJNMFSHEDOS-HAHDFKILSA-NSynonyms
(4((Z)(3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3NITROBENZOATE
(Z)4((3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxothiazolidin5ylidene)methyl)phenyl3nitrobenzoate
4((Z)(3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)(N+)(=O)(O))SC3=S
InChI=1SC28H20N4O6S2c11724(26(34)31(29(17)2)208435920)3025(33)23(4028(30)39)1518111322(141218)3827(35)19761021(1619)32(36)37h316H12H3b2315
MFCD01947604
S=C1SC(=Cc2ccc(cc2)OC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C
ZINC000001789749
ZINC01789749
ZINC1789749
Check stock
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Check stock on Vitas-MAvailable files
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