Vitas-M small molecule compound
4-methoxybenzyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK031658
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccc(cc1)OC
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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/c1-6-35-24-13-19(9-12-22(24)31)26-25(28(33)36-16-18-7-10-20(34-5)11-8-18)17(2)30-21-14-29(3,4)15-23(32)27(21)26/h7-13,26,30-31H,6,14-16H2,1-5H3InChIKey
YYQZYEFQLCUAKQ-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)O
CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccc(cc1)OC
InChI=1SC29H33NO6c1635241319(91222(24)31)2625(28(33)36161871020(345)11818)17(2)30211429(34)1523(32)27(21)26h713263031H61416H215H3
MFCD01445636
STK031658
ZINC000008742240
ZINC000008742241
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