Vitas-M small molecule compound
4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STK113584
SMILES COc1c(Br)cc(cc1OC)C1Nc2c(C)cc(cc2C2C1CC=C2)[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 C21H21BrN2O4 MW 445.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O4/c1-11-7-13(24(25)26)10-16-14-5-4-6-15(14)20(23-19(11)16)12-8-17(22)21(28-3)18(9-12)27-2/h4-5,7-10,14-15,20,23H,6H2,1-3H3InChIKey
HDILAOFDMAEPHF-UHFFFAOYSA-NSynonyms
4(3BROMO45DIMETHOXYPHENYL)6METHYL8NITRO3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
CC1=C2C(=CC(=C1)(N+)(=O)(O))C3C=CCC3C(N2)C4=CC(=C(C(=C4)Br)OC)OC
COc1c(Br)cc(cc1OC)C1Nc2c(C)cc(cc2C2C1CC=C2)(N+)(=O)(O)
InChI=1SC21H21BrN2O4c111713(24(25)26)10161454615(14)20(2319(11)16)12817(22)21(283)18(912)272h4571014152023H6H213H3
MFCD04127347
ZINC000009763602
ZINC000059267196
Check stock
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Check stock on Vitas-MAvailable files
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