Vitas-M small molecule compound
2,2-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK756086
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1cc2OCOc2cc1[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 C26H22N2O5 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5/c1-26(2)11-17-23-15-6-4-3-5-14(15)7-8-18(23)27-25(24(17)20(29)12-26)16-9-21-22(33-13-32-21)10-19(16)28(30)31/h3-10,25,27H,11-13H2,1-2H3InChIKey
CETRNPAQZPQUDJ-UHFFFAOYSA-NSynonyms
22dimethyl5(6nitro13benzodioxol5yl)1356tetrahydrobenzo(a)phenanthridin4one
22dimethyl5(6nitro13benzodioxol5yl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC6=C(C=C5(N+)(=O)(O))OCO6)C(=O)C1)C
InChI=1SC26H22N2O5c126(2)11172315643514(15)7818(23)2725(24(17)20(29)1226)1692122(33133221)1019(16)28(30)31h3102527H1113H212H3
MFCD00314767
O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1cc2OCOc2cc1(N+)(=O)(O)
ZINC000000809046
ZINC000000809047
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