Vitas-M small molecule compound

(4Z)-4-(1-{[2-(1H-imidazol-5-yl)ethyl]amino}ethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK207122
SMILES COc1ccc(cc1)C1=NN(C(=O)/C/1=C(\NCCc1cnc[nH]1)/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 C23H22N6O4 MW 446.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O4/c1-15(25-12-11-17-13-24-14-26-17)21-22(16-3-9-20(33-2)10-4-16)27-28(23(21)30)18-5-7-19(8-6-18)29(31)32/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,26)/b21-15-
InChIKey
KDCHJSWUWZJEEC-QNGOZBTKSA-N
Synonyms

(4Z)4(1((2(1Himidazol5yl)ethyl)amino)ethylidene)5(4methoxyphenyl)2(4nitrophenyl)24dihydro3Hpyrazol3one
(4Z)4(1(2(1Himidazol5yl)ethylamino)ethylidene)5(4methoxyphenyl)2(4nitrophenyl)pyrazol3one
4(((2IMIDAZOL5YLETHYL)AMINO)ETHYLIDENE)3(4METHOXYPHENYL)1(4NITROPHENYL)12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)OC)NCCC4=CN=CN4
COc1ccc(cc1)C1=NN(C(=O)C1=C(NCCc1cnc(nH)1)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H22N6O4c115(251211171324142617)2122(163920(332)10416)2728(23(21)30)185719(8618)29(31)32h310131425H1112H212H3(H2426)b2115
MFCD06191798
ZINC000100430489
ZINC09972224
ZINC100430489

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Available files

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