Vitas-M small molecule compound
4-[(3aS,4R,9bR)-6-(methoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Catalog ID
STL221992
SMILES COC(=O)c1cccc2c1N[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 C21H19NO4 MW 349.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4/c1-26-21(25)17-7-3-6-16-14-4-2-5-15(14)18(22-19(16)17)12-8-10-13(11-9-12)20(23)24/h2-4,6-11,14-15,18,22H,5H2,1H3,(H,23,24)/t14-,15+,18+/m1/s1InChIKey
AWLTWPHKRLCZJX-VKJFTORMSA-NSynonyms
4((3aS4R9bR)6(methoxycarbonyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoicacid
4((3AS4R9BR)6METHOXYCARBONYL3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)BENZOICACID
COC(=O)C1=C2C(=CC=C1)C3C=CCC3C(N2)C4=CC=C(C=C4)C(=O)O
COC(=O)c1cccc2c1N(C@@H)(c1ccc(cc1)C(=O)O)(C@@H)1(C@H)2C=CC1
InChI=1SC21H19NO4c12621(25)17736161442515(14)18(2219(16)17)1281013(11912)20(23)24h2461114151822H5H21H3(H2324)t1415+18+m1s1
MFCD09992441
ZINC000004172095
ZINC4172095
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