Vitas-M small molecule compound
2-phenylethyl 4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407291
SMILES COc1ccc(cc1O)C1C(=C(C)NC2=C1C(=O)CCC2)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 C26H27NO5 MW 433.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO5/c1-16-23(26(30)32-14-13-17-7-4-3-5-8-17)24(18-11-12-22(31-2)21(29)15-18)25-19(27-16)9-6-10-20(25)28/h3-5,7-8,11-12,15,24,27,29H,6,9-10,13-14H2,1-2H3InChIKey
XAWYNZKQEPRQGP-UHFFFAOYSA-NSynonyms
2phenylethyl4(3hydroxy4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3hydroxy4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)O)C(=O)OCCC4=CC=CC=C4
InChI=1SC26H27NO5c11623(26(30)321413177435817)24(18111222(312)21(29)1518)2519(2716)961020(25)28h3578111215242729H69101314H212H3
MFCD01823650
ZINC000000861260
ZINC000002820067
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