Vitas-M small molecule compound
(3aS,4R,9bR)-4-(ethoxycarbonyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid
Catalog ID
STK064097
SMILES CCOC(=O)[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 C17H19NO4 MW 301.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO4/c1-3-22-17(21)15-12-6-4-5-11(12)13-8-7-10(16(19)20)9(2)14(13)18-15/h4-5,7-8,11-12,15,18H,3,6H2,1-2H3,(H,19,20)/t11-,12+,15-/m1/s1InChIKey
HIUULZSOZXWEKD-TYNCELHUSA-NSynonyms
(3AS4R9BR)4(ETHOXYCARBONYL)6METHYL3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE7CARBOXYLICACID
(3AS4R9BR)4ETHOXYCARBONYL6METHYL3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE7CARBOXYLICACID
CCOC(=O)(C@@H)1Nc2c((C@H)3(C@@H)1CC=C3)ccc(c2C)C(=O)O
CCOC(=O)C1C2CC=CC2C3=C(N1)C(=C(C=C3)C(=O)O)C
InChI=1SC17H19NO4c132217(21)151264511(12)138710(16(19)20)9(2)14(13)1815h457811121518H36H212H3(H1920)t1112+15m1s1
MFCD13368364
STK064097
ZINC000005568646
ZINC5568646
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