Vitas-M small molecule compound
4-[6-chloro-9-(methoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Catalog ID
STK120645
SMILES COC(=O)c1ccc(c2c1C1C=CCC1C(N2)c1ccc(cc1)C(=O)O)Cl
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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 C21H18ClNO4 MW 383.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO4/c1-27-21(26)15-9-10-16(22)19-17(15)13-3-2-4-14(13)18(23-19)11-5-7-12(8-6-11)20(24)25/h2-3,5-10,13-14,18,23H,4H2,1H3,(H,24,25)InChIKey
OXEWPAVNHQWPFP-UHFFFAOYSA-NSynonyms
4(6CHLORO9(METHOXYCARBONYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)BENZOICACID
4(6CHLORO9METHOXYCARBONYL3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)BENZOICACID
COC(=O)C1=C2C3C=CCC3C(NC2=C(C=C1)Cl)C4=CC=C(C=C4)C(=O)O
InChI=1SC21H18ClNO4c12721(26)1591016(22)1917(15)1332414(13)18(2319)115712(8611)20(24)25h2351013141823H4H21H3(H2425)
MFCD04128906
ZINC000004691625
ZINC000111478310
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