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}-2-methoxyphenyl 3-nitrobenzoate
Catalog ID
STK701600
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C/1\SC(=S)N(C1=O)c1c(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 C29H22N4O7S2 MW 602.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O7S2/c1-17-25(27(35)32(30(17)2)20-9-5-4-6-10-20)31-26(34)24(42-29(31)41)15-18-12-13-22(23(14-18)39-3)40-28(36)19-8-7-11-21(16-19)33(37)38/h4-16H,1-3H3/b24-15-InChIKey
JIIQTZQTXIECIY-IWIPYMOSSA-NSynonyms
(4((Z)(3(15dimethyl3oxo2phenylpyrazol4yl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenyl)3nitrobenzoate
(E)4((3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenyl3nitrobenzoate
4((Z)(3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl3nitrobenzoate
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))OC)SC3=S
COc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC29H22N4O7S2c11725(27(35)32(30(17)2)2095461020)3126(34)24(4229(31)41)1518121322(23(1418)393)4028(36)19871121(1619)33(37)38h416H13H3b2415
MFCD01960128
ZINC000100834102
ZINC100834102
Check stock
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Check stock on Vitas-MAvailable files
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