Vitas-M small molecule compound
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK861906
SMILES S=C1S/C(=C\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 C21H16N4O4S2 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4S2/c1-13-18(20(27)24(22(13)2)15-8-4-3-5-9-15)23-19(26)17(31-21(23)30)12-14-7-6-10-16(11-14)25(28)29/h3-12H,1-2H3/b17-12-InChIKey
LRQDKGUASBBKFA-ATVHPVEESA-NSynonyms
(5Z)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(3nitrobenzylidene)2thioxo13thiazolidin4one
(5Z)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)5((3NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(E)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(3nitrobenzylidene)2thioxothiazolidin4one
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=S
InChI=1SC21H16N4O4S2c11318(20(27)24(22(13)2)158435915)2319(26)17(3121(23)30)1214761016(1114)25(28)29h312H12H3b1712
MFCD00326165
S=C1SC(=Cc2cccc(c2)(N+)(=O)(O))C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C
ZINC000001824825
ZINC01824825
ZINC1824825
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