Vitas-M small molecule compound
propyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK049863
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)OC
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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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-5-13-36-29(33)26-17(3)30-22-14-20(18-7-10-21(34-4)11-8-18)15-24(32)28(22)27(26)19-9-12-23(31)25(16-19)35-6-2/h7-12,16,20,27,30-31H,5-6,13-15H2,1-4H3InChIKey
KMSGKIUUAHWHCS-UHFFFAOYSA-NSynonyms
5713-80-45713804
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC29H33NO6c15133629(33)2617(3)30221420(1871021(344)11818)1524(32)28(22)27(26)1991223(31)25(1619)3562h7121620273031H561315H214H3
MFCD01824396
propyl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK049863
ZINC000002758258
ZINC000019880932
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