Vitas-M small molecule compound
methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372219
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1)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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-17-24(27(31)33-5)25(26-20(29-17)14-28(2,3)15-21(26)30)19-11-12-22(23(13-19)32-4)34-16-18-9-7-6-8-10-18/h6-13,25,29H,14-16H2,1-5H3InChIKey
QIRWFVOSDBEAIQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OC
InChI=1SC28H31NO5c11724(27(31)335)25(2620(2917)1428(23)1521(26)30)19111222(23(1319)324)34161897681018h6132529H1416H215H3
methyl4(3methoxy4phenylmethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
methyl4(4(benzyloxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
MFCD00610959
ZINC000003208957
ZINC000019312930
Check stock
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Check stock on Vitas-MAvailable files
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