Vitas-M small molecule compound

{4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone

Catalog ID
STL390150
SMILES O=C(N1CCc2c(C1)cccc2)c1ccc(cc1)Cn1cc(c(n1)[N+](=O)[O-])Br

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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 C20H17BrN4O3 MW 441.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O3/c21-18-13-24(22-19(18)25(27)28)11-14-5-7-16(8-6-14)20(26)23-10-9-15-3-1-2-4-17(15)12-23/h1-8,13H,9-12H2
InChIKey
VSKLZJWZFBXJLZ-UHFFFAOYSA-N
Synonyms
492423-98-0
(4((4bromo3nitro1Hpyrazol1yl)methyl)phenyl)(34dihydroisoquinolin2(1H)yl)methanone
(4((4bromo3nitropyrazol1yl)methyl)phenyl)(34dihydro1Hisoquinolin2yl)methanone
492423980
C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)(N+)(=O)(O))Br
InChI=1SC20H17BrN4O3c21181324(2219(18)25(27)28)11145716(8614)20(26)2310915312417(15)1223h1813H912H2
MFCD03073241
O=C(N1CCc2c(C1)cccc2)c1ccc(cc1)Cn1cc(c(n1)(N+)(=O)(O))Br
ZINC000002763749
ZINC02763749
ZINC2763749

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Available files

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