Vitas-M small molecule compound
2-phenylethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK043775
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)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 C36H37NO7 MW 595.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37NO7/c1-5-42-32-21-26(13-16-31(32)44-23(3)38)34-33(36(40)43-18-17-24-9-7-6-8-10-24)22(2)37-29-19-27(20-30(39)35(29)34)25-11-14-28(41-4)15-12-25/h6-16,21,27,34,37H,5,17-20H2,1-4H3InChIKey
LJODMNJPEYYMHO-UHFFFAOYSA-NSynonyms
2phenylethyl4(4(acetyloxy)3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(4acetyloxy3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCCC5=CC=CC=C5)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)C(=O)OCCc1ccccc1
InChI=1SC36H37NO7c1542322126(131631(32)4423(3)38)3433(36(40)4318172497681024)22(2)37291927(2030(39)35(29)34)25111428(414)151225h61621273437H51720H214H3
MFCD01823657
STK043775
ZINC000000861262
ZINC000000861265
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