Vitas-M small molecule compound
2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]-5-nitrobenzonitrile
Catalog ID
STK376510
SMILES COc1cc(ccc1Oc1ccc(cc1C#N)[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 C33H27N3O5 MW 545.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O5/c1-33(2)16-24-30-23-7-5-4-6-19(23)8-11-25(30)35-32(31(24)26(37)17-33)20-9-12-28(29(15-20)40-3)41-27-13-10-22(36(38)39)14-21(27)18-34/h4-15,32,35H,16-17H2,1-3H3InChIKey
LFGLALNIFBTZBB-UHFFFAOYSA-NSynonyms
2(4(22dimethyl4oxo123456hexahydrobenzo(a)phenanthridin5yl)2methoxyphenoxy)5nitrobenzonitrile
2(4(22dimethyl4oxo1356tetrahydrobenzo(a)phenanthridin5yl)2methoxyphenoxy)5nitrobenzonitrile
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)OC6=C(C=C(C=C6)(N+)(=O)(O))C#N)OC)C(=O)C1)C
COc1cc(ccc1Oc1ccc(cc1C#N)(N+)(=O)(O))C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
InChI=1SC33H27N3O5c133(2)16243023754619(23)81125(30)3532(31(24)26(37)1733)2091228(29(1520)403)4127131022(36(38)39)1421(27)1834h4153235H1617H213H3
MFCD01161040
ZINC000004046061
ZINC000004046063
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