Vitas-M small molecule compound
cyclopentyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407292
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1)OC1CCCC1
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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 C29H29NO5 MW 471.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO5/c1-17-26(29(32)35-21-9-5-6-10-21)27(19-11-12-24-25(15-19)34-16-33-24)28-22(30-17)13-20(14-23(28)31)18-7-3-2-4-8-18/h2-4,7-8,11-12,15,20-21,27,30H,5-6,9-10,13-14,16H2,1H3InChIKey
YUNSTKWZNRNSQG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OC6CCCC6
cyclopentyl4(13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclopentyl4(13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H29NO5c11726(29(32)35219561021)27(1911122425(1519)34163324)2822(3017)1320(1423(28)31)187324818h247811121520212730H56910131416H21H3
MFCD00771501
ZINC000000861334
ZINC000000861337
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