Vitas-M small molecule compound
cyclopentyl 7-(3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK031644
SMILES COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(o1)C)C(=O)OC1CCCC1)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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-16-11-12-24(33-16)27-25(28(31)34-20-8-4-5-9-20)17(2)29-22-14-19(15-23(30)26(22)27)18-7-6-10-21(13-18)32-3/h6-7,10-13,19-20,27,29H,4-5,8-9,14-15H2,1-3H3InChIKey
IYKBKGFCMOTUNY-UHFFFAOYSA-NSynonyms
CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC(=CC=C4)OC)NC(=C2C(=O)OC5CCCC5)C
COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(o1)C)C(=O)OC1CCCC1)C
cyclopentyl7(3methoxyphenyl)2methyl4(5methylfuran2yl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(3methoxyphenyl)2methyl4(5methylfuran2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO5c116111224(3316)2725(28(31)3420845920)17(2)29221419(1523(30)26(22)27)18761021(1318)323h67101319202729H45891415H213H3
MFCD03489287
STK031644
ZINC000009113497
ZINC000009113503
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