Vitas-M small molecule compound
2-phenoxyethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK043783
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)C(=O)OCCOc1ccccc1
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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 C36H37NO8 MW 611.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37NO8/c1-5-42-32-21-25(13-16-31(32)45-23(3)38)34-33(36(40)44-18-17-43-28-9-7-6-8-10-28)22(2)37-29-19-26(20-30(39)35(29)34)24-11-14-27(41-4)15-12-24/h6-16,21,26,34,37H,5,17-20H2,1-4H3InChIKey
QILMNIQOKVFMDD-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(4(acetyloxy)3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4acetyloxy3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCCOC5=CC=CC=C5)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)C(=O)OCCOc1ccccc1
InChI=1SC36H37NO8c1542322125(131631(32)4523(3)38)3433(36(40)441817432897681028)22(2)37291926(2030(39)35(29)34)24111427(414)151224h61621263437H51720H214H3
MFCD01823601
STK043783
ZINC000059706233
ZINC000059706242
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