Vitas-M small molecule compound
2-phenylethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK036698
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
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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 C30H33NO6 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO6/c1-18-26(29(34)36-14-13-20-9-7-6-8-10-20)27(28-22(31-18)16-30(3,4)17-23(28)33)21-11-12-24(37-19(2)32)25(15-21)35-5/h6-12,15,27,31H,13-14,16-17H2,1-5H3InChIKey
GFOWUTQLFNYSQE-UHFFFAOYSA-NSynonyms
2phenylethyl4(4(acetyloxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(4acetyloxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)OCCC4=CC=CC=C4
COc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
InChI=1SC30H33NO6c11826(29(34)3614132097681020)27(2822(3118)1630(34)1723(28)33)21111224(3719(2)32)25(1521)355h612152731H13141617H215H3
MFCD02188204
STK036698
ZINC000001220956
ZINC000001220957
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