Vitas-M small molecule compound

(4Z)-4-{[(4-methoxy-2-nitrophenyl)amino]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL295159
SMILES COc1ccc(c(c1)[N+](=O)[O-])N/C=C\1/C(=NN(C1=O)c1ccc(cc1)C)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 C19H18N4O4 MW 366.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4/c1-12-4-6-14(7-5-12)22-19(24)16(13(2)21-22)11-20-17-9-8-15(27-3)10-18(17)23(25)26/h4-11,20H,1-3H3/b16-11-
InChIKey
PIOPIUIMOOTKAU-WJDWOHSUSA-N
Synonyms

(4Z)4(((4methoxy2nitrophenyl)amino)methylidene)5methyl2(4methylphenyl)24dihydro3Hpyrazol3one
(4Z)4((4METHOXY2NITROANILINO)METHYLIDENE)5METHYL2(4METHYLPHENYL)PYRAZOL3ONE
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)OC)(N+)(=O)(O))C(=N2)C
COc1ccc(c(c1)(N+)(=O)(O))NC=C1C(=NN(C1=O)c1ccc(cc1)C)C
InChI=1SC19H18N4O4c1124614(7512)2219(24)16(13(2)2122)1120179815(273)1018(17)23(25)26h41120H13H3b1611
MFCD01019588
ZINC000100500198
ZINC100500198

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Available files

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