Vitas-M small molecule compound
(3aS,4R,9bR)-4-(3-bromo-4,5-dimethoxyphenyl)-6-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STK064016
SMILES COc1c(Br)cc(cc1OC)[C@@H]1Nc2c([C@H]3[C@@H]1CC=C3)cccc2C(F)(F)F
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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 C21H19BrF3NO2 MW 454.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrF3NO2/c1-27-17-10-11(9-16(22)20(17)28-2)18-13-6-3-5-12(13)14-7-4-8-15(19(14)26-18)21(23,24)25/h3-5,7-10,12-13,18,26H,6H2,1-2H3/t12-,13+,18+/m1/s1InChIKey
BPDYZRRTXVEVOS-VBHSOAQHSA-NSynonyms
(3AS4R9BR)4(3BROMO45DIMETHOXYPHENYL)6(TRIFLUOROMETHYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
COC1=C(C(=CC(=C1)C2C3CC=CC3C4=C(N2)C(=CC=C4)C(F)(F)F)Br)OC
COc1c(Br)cc(cc1OC)(C@@H)1Nc2c((C@H)3(C@@H)1CC=C3)cccc2C(F)(F)F
InChI=1SC21H19BrF3NO2c127171011(916(22)20(17)282)181363512(13)1474815(19(14)2618)21(2324)25h3571012131826H6H212H3t1213+18+m1s1
MFCD13368363
STK064016
ZINC000009554173
ZINC09554173
ZINC9554173
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