Vitas-M small molecule compound
4-(3-bromo-4,5-dimethoxyphenyl)-8,9-dimethyl-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STK110866
SMILES COc1c(Br)cc(cc1OC)C1Nc2c(C3C1CC=C3)c(C)c(cc2[N+](=O)[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 C22H23BrN2O4 MW 459.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O4/c1-11-8-17(25(26)27)21-19(12(11)2)14-6-5-7-15(14)20(24-21)13-9-16(23)22(29-4)18(10-13)28-3/h5-6,8-10,14-15,20,24H,7H2,1-4H3InChIKey
KPLZRNSAZFTQBY-UHFFFAOYSA-NSynonyms
4(3BROMO45DIMETHOXYPHENYL)89DIMETHYL6NITRO3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
CC1=CC(=C2C(=C1C)C3C=CCC3C(N2)C4=CC(=C(C(=C4)Br)OC)OC)(N+)(=O)(O)
COc1c(Br)cc(cc1OC)C1Nc2c(C3C1CC=C3)c(C)c(cc2(N+)(=O)(O))C
InChI=1SC22H23BrN2O4c111817(25(26)27)2119(12(11)2)1465715(14)20(2421)13916(23)22(294)18(1013)283h5681014152024H7H214H3
MFCD04127660
ZINC000009763228
ZINC000009763770
Check stock
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Check stock on Vitas-MAvailable files
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