Vitas-M small molecule compound
4-methyl-N-[(5Z)-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Catalog ID
STK809173
SMILES Cc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)[N+](=O)[O-])c2ccccc2)/C1=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 C27H19N5O4S2 MW 541.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N5O4S2/c1-17-7-9-19(10-8-17)25(33)29-31-26(34)23(38-27(31)37)15-20-16-30(21-5-3-2-4-6-21)28-24(20)18-11-13-22(14-12-18)32(35)36/h2-16H,1H3,(H,29,33)/b23-15-InChIKey
NCMXJYLQMVYPJH-HAHDFKILSA-NSynonyms
4methylN((5Z)5((3(4nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)benzamide
4METHYLN((5Z)5((3(4NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZAMIDE
CC1=CC=C(C=C1)C(=O)NN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5)SC2=S
Cc1ccc(cc1)C(=O)NN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)(N+)(=O)(O))c2ccccc2)C1=O
InChI=1SC27H19N5O4S2c1177919(10817)25(33)293126(34)23(3827(31)37)15201630(215324621)2824(20)18111322(141218)32(35)36h216H1H3(H2933)b2315
MFCD03461237
ZINC000002672966
ZINC2672966
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