Vitas-M small molecule compound
cyclopentyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK009446
SMILES CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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 C27H35NO5 MW 453.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO5/c1-6-32-21-12-11-17(13-22(21)31-5)24-23(26(30)33-18-9-7-8-10-18)16(2)28-19-14-27(3,4)15-20(29)25(19)24/h11-13,18,24,28H,6-10,14-15H2,1-5H3InChIKey
BGRISUZBFZETHN-UHFFFAOYSA-NSynonyms
299450-88-7299450887
CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCC4)C)OC
CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
cyclopentyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H35NO5c163221121117(1322(21)315)2423(26(30)33189781018)16(2)28191427(34)1520(29)25(19)24h1113182428H6101415H215H3
MFCD00752973
STK009446
ZINC000000726478
ZINC000000726479
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