Vitas-M small molecule compound

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

Catalog ID
STK868441
SMILES COc1ccc(cc1)CN/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[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 C19H18N4O4 MW 366.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4/c1-13-18(12-20-11-14-3-9-17(27-2)10-4-14)19(24)22(21-13)15-5-7-16(8-6-15)23(25)26/h3-10,12,20H,11H2,1-2H3/b18-12+
InChIKey
SAAUFNFGJRBZER-LDADJPATSA-N
Synonyms

(4E)4(((4methoxybenzyl)amino)methylidene)5methyl2(4nitrophenyl)24dihydro3Hpyrazol3one
(4E)4(((4METHOXYPHENYL)METHYLAMINO)METHYLIDENE)5METHYL2(4NITROPHENYL)PYRAZOL3ONE
(E)4(((4methoxybenzyl)amino)methylene)3methyl1(4nitrophenyl)1Hpyrazol5(4H)one
2(4NITROPHENYL)4(((4METHOXYBENZYL)IMINO)METHYL)5METHYL12DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CNCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1)CNC=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC19H18N4O4c11318(122011143917(272)10414)19(24)22(2113)155716(8615)23(25)26h3101220H11H212H3b1812+
MFCD01243971
ZINC000100359757
ZINC100359757

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Available files

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