Vitas-M small molecule compound
cyclohexyl 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK092297
SMILES COc1ccc(cc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
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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 C26H33NO5 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5/c1-15-22(25(30)32-17-8-6-5-7-9-17)23(16-10-11-21(31-4)19(28)12-16)24-18(27-15)13-26(2,3)14-20(24)29/h10-12,17,23,27-28H,5-9,13-14H2,1-4H3InChIKey
QEOXZGHBIOGXGW-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)O)C(=O)OC4CCCCC4
COc1ccc(cc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
cyclohexyl4(3hydroxy4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3hydroxy4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H33NO5c11522(25(30)32178657917)23(16101121(314)19(28)1216)2418(2715)1326(23)1420(24)29h101217232728H591314H214H3
MFCD02105323
STK092297
ZINC000000720135
ZINC000000720137
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