Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372620
SMILES COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-17-24(28(32)36-16-18-10-8-7-9-11-18)25(26-20(30-17)14-29(2,3)15-21(26)31)19-12-22(33-4)27(35-6)23(13-19)34-5/h7-13,25,30H,14-16H2,1-6H3InChIKey
XUSAQWKDPHUCPD-UHFFFAOYSA-NSynonyms
299948-54-2299948542
benzyl277trimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
benzyl277trimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC4=CC=CC=C4
InChI=1SC29H33NO6c11724(28(32)361618108791118)25(2620(3017)1429(23)1521(26)31)191222(334)27(356)23(1319)345h7132530H1416H216H3
MFCD00753316
ZINC000019536520
ZINC000019536523
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