Vitas-M small molecule compound

(4Z)-4-[(tert-butylamino)methylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK769307
SMILES CC1=NN(C(=O)/C/1=C\NC(C)(C)C)c1ccc(cc1)[N+](=O)[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 C15H18N4O3 MW 302.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O3/c1-10-13(9-16-15(2,3)4)14(20)18(17-10)11-5-7-12(8-6-11)19(21)22/h5-9,16H,1-4H3/b13-9-
InChIKey
GKQAWNSDYQUYKZ-LCYFTJDESA-N
Synonyms

(4Z)4((tertbutylamino)methylidene)5methyl2(4nitrophenyl)24dihydro3Hpyrazol3one
(4Z)4((TERTBUTYLAMINO)METHYLIDENE)5METHYL2(4NITROPHENYL)PYRAZOL3ONE
24DIHYDROPYRAZOL3ONE4(TERTBUTYLAMINOMETHYLENE)5METHYL2(4NITROPHENYL)
CC1=NN(C(=O)C1=CNC(C)(C)C)c1ccc(cc1)(N+)(=O)(O)
CC1=NN(C(=O)C1=CNC(C)(C)C)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC15H18N4O3c11013(91615(23)4)14(20)18(1710)115712(8611)19(21)22h5916H14H3b139
MFCD03408859
ZINC000006200273
ZINC06200273
ZINC6200273

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Available files

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