Vitas-M small molecule compound
(3aS,4R,9bR)-4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL302219
SMILES COc1c(Br)cc(cc1OC)[C@@H]1Nc2c(C)cccc2[C@H]2[C@@H]1CC=C2
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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 C21H22BrNO2 MW 400.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO2/c1-12-6-4-8-15-14-7-5-9-16(14)20(23-19(12)15)13-10-17(22)21(25-3)18(11-13)24-2/h4-8,10-11,14,16,20,23H,9H2,1-3H3/t14-,16-,20-/m0/s1InChIKey
XBJNOLZWBKIZPE-UVFQYZLESA-NSynonyms
(3aS4R9bR)4(3bromo45dimethoxyphenyl)6methyl3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=CC=CC2=C1NC(C3C2C=CC3)C4=CC(=C(C(=C4)Br)OC)OC
COc1c(Br)cc(cc1OC)(C@@H)1Nc2c(C)cccc2(C@H)2(C@@H)1CC=C2
InChI=1SC21H22BrNO2c112648151475916(14)20(2319(12)15)131017(22)21(253)18(1113)242h48101114162023H9H213H3t141620m0s1
ZINC000006727251
ZINC06727251
ZINC6727251
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