Vitas-M small molecule compound
methyl 4-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402451
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)O)C(=O)OC)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 C25H25NO5 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5/c1-14-22(25(29)31-3)23(16-4-8-18(27)9-5-16)24-20(26-14)12-17(13-21(24)28)15-6-10-19(30-2)11-7-15/h4-11,17,23,26-27H,12-13H2,1-3H3InChIKey
RWXXNOBIUKOFAW-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)O)C(=O)OC
InChI=1SC25H25NO5c11422(25(29)313)23(164818(27)9516)2420(2614)1217(1321(24)28)1561019(302)11715h41117232627H1213H213H3
methyl4(4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01445610
ZINC000019770139
ZINC000019770142
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