Vitas-M small molecule compound
(3aS,4R,9bR)-6-methyl-4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid
Catalog ID
STK061040
SMILES Cc1ccc(cc1)[C@@H]1Nc2c([C@H]3[C@@H]1CC=C3)ccc(c2C)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/c1-12-6-8-14(9-7-12)20-17-5-3-4-16(17)18-11-10-15(21(23)24)13(2)19(18)22-20/h3-4,6-11,16-17,20,22H,5H2,1-2H3,(H,23,24)/t16-,17+,20+/m1/s1InChIKey
PTVNBGNXUYSSTK-UWVAXJGDSA-NSynonyms
(3AS4R9BR)6METHYL4(4METHYLPHENYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE7CARBOXYLICACID
CC1=CC=C(C=C1)C2C3CC=CC3C4=C(N2)C(=C(C=C4)C(=O)O)C
Cc1ccc(cc1)(C@@H)1Nc2c((C@H)3(C@@H)1CC=C3)ccc(c2C)C(=O)O
InChI=1SC21H21NO2c1126814(9712)201753416(17)18111015(21(23)24)13(2)19(18)2220h3461116172022H5H212H3(H2324)t1617+20+m1s1
MFCD13368357
STK061040
ZINC000004363244
ZINC4363244
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