Vitas-M small molecule compound
(3aR,4S,9bS)-4-(4-ethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
Catalog ID
STK233499
SMILES CCc1ccc(cc1)[C@H]1Nc2ccc(cc2[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 C21H21NO2 MW 319.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO2/c1-2-13-6-8-14(9-7-13)20-17-5-3-4-16(17)18-12-15(21(23)24)10-11-19(18)22-20/h3-4,6-12,16-17,20,22H,2,5H2,1H3,(H,23,24)/t16-,17+,20+/m0/s1InChIKey
NJDLNYNHYLVXMR-SQGPQFPESA-NSynonyms
(3aR4S9bS)4(4ethylphenyl)3a459btetrahydro3Hcyclopenta(c)quinoline8carboxylicacid
CCC1=CC=C(C=C1)C2C3CC=CC3C4=C(N2)C=CC(=C4)C(=O)O
CCc1ccc(cc1)(C@H)1Nc2ccc(cc2(C@@H)2(C@H)1CC=C2)C(=O)O
InChI=1SC21H21NO2c12136814(9713)201753416(17)181215(21(23)24)101119(18)2220h3461216172022H25H21H3(H2324)t1617+20+m0s1
MFCD13368599
ZINC000004168290
ZINC4168290
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