Vitas-M small molecule compound
4-methoxybenzyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK039732
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)(C)C
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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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-17-7-6-8-20(13-17)25-24(27(31)33-16-19-9-11-21(32-5)12-10-19)18(2)29-22-14-28(3,4)15-23(30)26(22)25/h6-13,25,29H,14-16H2,1-5H3InChIKey
PCUDZKQAQSCLPO-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl277trimethyl4(3methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl277trimethyl4(3methylphenyl)5oxo145678hexahydroquinoline3carboxylate
CC1=CC=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)(C)C
InChI=1SC28H31NO4c11776820(1317)2524(27(31)33161991121(325)121019)18(2)29221428(34)1523(30)26(22)25h6132529H1416H215H3
MFCD02104456
STK039732
ZINC000008779932
ZINC000008779934
Check stock
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