Vitas-M small molecule compound
(3aS,4R,9bR)-4-(5-bromo-2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
Catalog ID
STL221969
SMILES COc1ccc(cc1[C@@H]1Nc2ccc(cc2[C@H]2[C@@H]1CC=C2)C(=O)O)Br
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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 C20H18BrNO3 MW 400.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO3/c1-25-18-8-6-12(21)10-16(18)19-14-4-2-3-13(14)15-9-11(20(23)24)5-7-17(15)22-19/h2-3,5-10,13-14,19,22H,4H2,1H3,(H,23,24)/t13-,14+,19-/m1/s1InChIKey
NZGRRGAZVGOZOV-BIENJYKASA-NSynonyms
(3aS4R9bR)4(5bromo2methoxyphenyl)3a459btetrahydro3Hcyclopenta(c)quinoline8carboxylicacid
COC1=C(C=C(C=C1)Br)C2C3CC=CC3C4=C(N2)C=CC(=C4)C(=O)O
COc1ccc(cc1(C@@H)1Nc2ccc(cc2(C@H)2(C@@H)1CC=C2)C(=O)O)Br
InChI=1SC20H18BrNO3c125188612(21)1016(18)191442313(14)15911(20(23)24)5717(15)2219h2351013141922H4H21H3(H2324)t1314+19m1s1
MFCD24857520
ZINC000002578383
ZINC2578383
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