Vitas-M small molecule compound
4-[9-(methoxycarbonyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Catalog ID
STK125629
SMILES COC(=O)c1ccc(c2c1C1C=CCC1C(N2)c1ccc(cc1)C(=O)O)C
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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 C22H21NO4 MW 363.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4/c1-12-6-11-17(22(26)27-2)18-15-4-3-5-16(15)20(23-19(12)18)13-7-9-14(10-8-13)21(24)25/h3-4,6-11,15-16,20,23H,5H2,1-2H3,(H,24,25)InChIKey
IQNJLLYQIGFFSP-UHFFFAOYSA-NSynonyms
4(4CARBOXYPHENYL)6METHYL3A459BTETRAHYDRO3HCYCLOPENTAQUINOLINE9CARBOXYLICACIDMETHYLE
4(9(METHOXYCARBONYL)6METHYL3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)BENZOICACID
4(9METHOXYCARBONYL6METHYL3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)BENZOICACID
CC1=C2C(=C(C=C1)C(=O)OC)C3C=CCC3C(N2)C4=CC=C(C=C4)C(=O)O
InChI=1SC22H21NO4c11261117(22(26)272)181543516(15)20(2319(12)18)137914(10813)21(24)25h3461115162023H5H212H3(H2425)
MFCD04128935
ZINC000006721376
ZINC000059267105
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