Vitas-M small molecule compound

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

Catalog ID
STK762131
SMILES Cc1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2cc(ccc2Br)[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 C22H16BrN3O4 MW 466.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3O4/c1-13-3-5-15(6-4-13)25-22(27)18(14(2)24-25)12-17-8-10-21(30-17)19-11-16(26(28)29)7-9-20(19)23/h3-12H,1-2H3/b18-12-
InChIKey
JVKIPYRKPLJGDB-PDGQHHTCSA-N
Synonyms

(4Z)4((5(2bromo5nitrophenyl)furan2yl)methylidene)5methyl2(4methylphenyl)24dihydro3Hpyrazol3one
(4Z)4((5(2BROMO5NITROPHENYL)FURAN2YL)METHYLIDENE)5METHYL2(4METHYLPHENYL)PYRAZOL3ONE
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)(N+)(=O)(O))Br)C(=N2)C
Cc1ccc(cc1)N1N=C(C(=Cc2ccc(o2)c2cc(ccc2Br)(N+)(=O)(O))C1=O)C
InChI=1SC22H16BrN3O4c1133515(6413)2522(27)18(14(2)2425)121781021(3017)191116(26(28)29)7920(19)23h312H12H3b1812
MFCD01157808
ZINC000008854737
ZINC08854737
ZINC8854737

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Available files

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