Vitas-M small molecule compound
2,2-dimethyl-5-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK376452
SMILES CC1CCCN(C1)c1ccc(cc1[N+](=O)[O-])C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
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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 C31H33N3O3 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O3/c1-19-7-6-14-33(18-19)25-13-11-21(15-26(25)34(36)37)30-29-23(16-31(2,3)17-27(29)35)28-22-9-5-4-8-20(22)10-12-24(28)32-30/h4-5,8-13,15,19,30,32H,6-7,14,16-18H2,1-3H3InChIKey
HFBQJIQSAIEYNW-UHFFFAOYSA-NSynonyms
22dimethyl5(4(3methylpiperidin1yl)3nitrophenyl)1356tetrahydrobenzo(a)phenanthridin4one
22dimethyl5(4(3methylpiperidin1yl)3nitrophenyl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1CCCN(C1)c1ccc(cc1(N+)(=O)(O))C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
CC1CCCN(C1)C2=C(C=C(C=C2)C3C4=C(CC(CC4=O)(C)C)C5=C(N3)C=CC6=CC=CC=C65)(N+)(=O)(O)
InChI=1SC31H33N3O3c119761433(1819)25131121(1526(25)34(36)37)302923(1631(23)1727(29)35)2822954820(22)101224(28)3230h4581315193032H67141618H213H3
MFCD01161110
ZINC000004046001
ZINC000015188196
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