Vitas-M small molecule compound

butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK090575
SMILES CCOc1cc(ccc1OC(=O)C)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC(CC)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 C32H37NO7 MW 547.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO7/c1-7-18(3)39-32(36)29-19(4)33-25-15-23(21-9-12-24(37-6)13-10-21)16-26(35)31(25)30(29)22-11-14-27(40-20(5)34)28(17-22)38-8-2/h9-14,17-18,23,30,33H,7-8,15-16H2,1-6H3
InChIKey
OFYFKDBIJRFJOG-UHFFFAOYSA-N
Synonyms

butan2yl4(4(acetyloxy)3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(4acetyloxy3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OCC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
CCOc1cc(ccc1OC(=O)C)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC(CC)C)C
InChI=1SC32H37NO7c1718(3)3932(36)2919(4)33251523(2191224(376)131021)1626(35)31(25)30(29)22111427(4020(5)34)28(1722)3882h9141718233033H781516H216H3
MFCD01825230
STK090575
ZINC000001202068
ZINC000169682891

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Available files

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