Vitas-M small molecule compound
cyclohexyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK016397
SMILES CCOc1cc(ccc1OC(=O)C)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 C29H37NO6 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO6/c1-6-34-24-14-19(12-13-23(24)35-18(3)31)26-25(28(33)36-20-10-8-7-9-11-20)17(2)30-21-15-29(4,5)16-22(32)27(21)26/h12-14,20,26,30H,6-11,15-16H2,1-5H3InChIKey
VPUNYVFZTVUNLI-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
cyclohexyl4(4(acetyloxy)3ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(4acetyloxy3ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC29H37NO6c1634241419(121323(24)3518(3)31)2625(28(33)3620108791120)17(2)30211529(45)1622(32)27(21)26h1214202630H6111516H215H3
MFCD02633307
STK016397
ZINC000008984586
ZINC000008985309
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