Vitas-M small molecule compound
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxy-3-nitrophenyl acetate
Catalog ID
STK758207
SMILES COc1c(ccc(c1[N+](=O)[O-])C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3)OC(=O)C
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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 C28H26N2O6 MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6/c1-15(31)36-22-12-10-18(26(30(33)34)27(22)35-4)25-24-19(13-28(2,3)14-21(24)32)23-17-8-6-5-7-16(17)9-11-20(23)29-25/h5-12,25,29H,13-14H2,1-4H3InChIKey
MCIXCIVPITVHIQ-UHFFFAOYSA-NSynonyms
(4(22dimethyl4oxo1356tetrahydrobenzo(a)phenanthridin5yl)2methoxy3nitrophenyl)acetate
4(22dimethyl4oxo123456hexahydrobenzo(a)phenanthridin5yl)2methoxy3nitrophenylacetate
CC(=O)OC1=C(C(=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)(N+)(=O)(O))OC
COc1c(ccc(c1(N+)(=O)(O))C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3)OC(=O)C
InChI=1SC28H26N2O6c115(31)3622121018(26(30(33)34)27(22)354)252419(1328(23)1421(24)32)2317865716(17)91120(23)2925h5122529H1314H214H3
MFCD00749078
ZINC000001060313
ZINC000001060315
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