Vitas-M small molecule compound
(3aS,4R,9bR)-4-(4-chlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
Catalog ID
STL280645
SMILES Clc1ccc(cc1)[C@@H]1Nc2c(C)ccc(c2[C@H]2[C@@H]1CC=C2)C(=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 C20H18ClNO2 MW 339.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO2/c1-11-5-10-16(20(23)24)17-14-3-2-4-15(14)19(22-18(11)17)12-6-8-13(21)9-7-12/h2-3,5-10,14-15,19,22H,4H2,1H3,(H,23,24)/t14-,15+,19+/m1/s1InChIKey
MIUBSDCCDUMSBA-VCBZYWHSSA-NSynonyms
(3aS4R9bR)4(4chlorophenyl)6methyl3a459btetrahydro3Hcyclopenta(c)quinoline9carboxylicacid
CC1=C2C(=C(C=C1)C(=O)O)C3C=CCC3C(N2)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)(C@@H)1Nc2c(C)ccc(c2(C@H)2(C@@H)1CC=C2)C(=O)O
InChI=1SC20H18ClNO2c11151016(20(23)24)171432415(14)19(2218(11)17)126813(21)9712h2351014151922H4H21H3(H2324)t1415+19+m1s1
MFCD24850149
ZINC000004199907
ZINC4199907
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