Vitas-M small molecule compound
(4E)-2-(2,4-dimethylphenyl)-4-{[(3,5-dinitrophenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL406276
SMILES Cc1ccc(c(c1)C)N1N=C(/C(=C\Nc2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/C1=O)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 C19H17N5O5 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O5/c1-11-4-5-18(12(2)6-11)22-19(25)17(13(3)21-22)10-20-14-7-15(23(26)27)9-16(8-14)24(28)29/h4-10,20H,1-3H3/b17-10+InChIKey
KLAKDXNHACAHTO-LICLKQGHSA-NSynonyms
(4E)2(24dimethylphenyl)4(((35dinitrophenyl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(24DIMETHYLPHENYL)4((35DINITROANILINO)METHYLIDENE)5METHYLPYRAZOL3ONE
CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))C(=N2)C)C
Cc1ccc(c(c1)C)N1N=C(C(=CNc2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))C1=O)C
InChI=1SC19H17N5O5c1114518(12(2)611)2219(25)17(13(3)2122)102014715(23(26)27)916(814)24(28)29h41020H13H3b1710+
MFCD00606641
ZINC000100507682
ZINC100507682
Check stock
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