Vitas-M small molecule compound
2-phenoxyethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK062091
SMILES CCOc1cc(cc(c1O)Cl)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 C34H34ClNO7 MW 604.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34ClNO7/c1-4-41-29-19-23(16-26(35)33(29)38)31-30(34(39)43-15-14-42-25-8-6-5-7-9-25)20(2)36-27-17-22(18-28(37)32(27)31)21-10-12-24(40-3)13-11-21/h5-13,16,19,22,31,36,38H,4,14-15,17-18H2,1-3H3InChIKey
NBGFRSMHANGMDW-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(3chloro5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(3chloro5ethoxy4hydroxyphenyl)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)Cl)O
CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)C(=O)OCCOc1ccccc1
InChI=1SC34H34ClNO7c1441291923(1626(35)33(29)38)3130(34(39)43151442258657925)20(2)36271722(1828(37)32(27)31)21101224(403)131121h513161922313638H414151718H213H3
MFCD01873716
STK062091
ZINC000100583191
ZINC000100583199
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