Vitas-M small molecule compound

1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one

Catalog ID
STK613015
SMILES O=C(N1CCc2c(C1)cccc2)CCc1nc2c([nH]1)cc(cc2)[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 C19H18N4O3 MW 350.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3/c24-19(22-10-9-13-3-1-2-4-14(13)12-22)8-7-18-20-16-6-5-15(23(25)26)11-17(16)21-18/h1-6,11H,7-10,12H2,(H,20,21)
InChIKey
RCQVKPUGYYGMCK-UHFFFAOYSA-N
Synonyms
895824-32-5
1(34dihydro1Hisoquinolin2yl)3(6nitro1Hbenzimidazol2yl)propan1one
1(34dihydroisoquinolin2(1H)yl)3(5nitro1Hbenzo(d)imidazol2yl)propan1one
1(34dihydroisoquinolin2(1H)yl)3(6nitro1Hbenzimidazol2yl)propan1one
895824325
C1CN(CC2=CC=CC=C21)C(=O)CCC3=NC4=C(N3)C=C(C=C4)(N+)(=O)(O)
InChI=1SC19H18N4O3c2419(2210913312414(13)1222)871820166515(23(25)26)1117(16)2118h1611H71012H2(H2021)
MFCD08732137
O=C(N1CCc2c(C1)cccc2)CCc1nc2c((nH)1)cc(cc2)(N+)(=O)(O)
O=C(N1CCc2c(C1)cccc2)CCc1nc2c((nH)1)ccc(c2)(N+)(=O)(O)
ZINC000008914678
ZINC08914678
ZINC8914678

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Available files

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