Vitas-M small molecule compound
4-[(3aS,4R,9bR)-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Catalog ID
STL222058
SMILES COc1cccc2c1N[C@@H](c1ccc(cc1)C(=O)O)[C@@H]1[C@H]2C=CC1
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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 C20H19NO3 MW 321.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO3/c1-24-17-7-3-6-16-14-4-2-5-15(14)18(21-19(16)17)12-8-10-13(11-9-12)20(22)23/h2-4,6-11,14-15,18,21H,5H2,1H3,(H,22,23)/t14-,15+,18+/m1/s1InChIKey
IPNOZTJAHBNSAK-VKJFTORMSA-NSynonyms
4((3aS4R9bR)6methoxy3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoicacid
COC1=CC=CC2=C1NC(C3C2C=CC3)C4=CC=C(C=C4)C(=O)O
COc1cccc2c1N(C@@H)(c1ccc(cc1)C(=O)O)(C@@H)1(C@H)2C=CC1
InChI=1SC20H19NO3c12417736161442515(14)18(2119(16)17)1281013(11912)20(22)23h2461114151821H5H21H3(H2223)t1415+18+m1s1
MFCD24857600
ZINC000004172112
ZINC4172112
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