Vitas-M small molecule compound
7,8-dimethoxy-3-(3-nitrophenyl)-2-(2-phenylethyl)-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Catalog ID
STK262152
SMILES COc1cc2CN3C(Cc2cc1OC)C(=O)N(C3c1cccc(c1)[N+](=O)[O-])CCc1ccccc1
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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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-34-24-15-20-14-23-27(31)28(12-11-18-7-4-3-5-8-18)26(19-9-6-10-22(13-19)30(32)33)29(23)17-21(20)16-25(24)35-2/h3-10,13,15-16,23,26H,11-12,14,17H2,1-2H3InChIKey
JGYSQDQPKFELTL-UHFFFAOYSA-NSynonyms
78dimethoxy3(3nitrophenyl)2(2phenylethyl)231010atetrahydroimidazo(15b)isoquinolin1(5H)one
78dimethoxy3(3nitrophenyl)2(2phenylethyl)351010atetrahydroimidazo(15b)isoquinolin1one
COC1=C(C=C2CN3C(CC2=C1)C(=O)N(C3C4=CC(=CC=C4)(N+)(=O)(O))CCC5=CC=CC=C5)OC
COc1cc2CN3C(Cc2cc1OC)C(=O)N(C3c1cccc(c1)(N+)(=O)(O))CCc1ccccc1
InChI=1SC27H27N3O5c134241520142327(31)28(1211187435818)26(19961022(1319)30(32)33)29(23)1721(20)1625(24)352h3101315162326H11121417H212H3
MFCD08545688
ZINC000035754349
ZINC000239121084
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