Vitas-M small molecule compound
2-phenylethyl 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK005359
SMILES COc1ccc(cc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-17-24(27(32)34-13-12-18-8-6-5-7-9-18)25(19-10-11-23(33-4)21(30)14-19)26-20(29-17)15-28(2,3)16-22(26)31/h5-11,14,25,29-30H,12-13,15-16H2,1-4H3InChIKey
PGLZZAOWIHLHHP-UHFFFAOYSA-NSynonyms
2phenylethyl4(3hydroxy4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3hydroxy4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)O)C(=O)OCCC4=CC=CC=C4
COc1ccc(cc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
InChI=1SC28H31NO5c11724(27(32)341312188657918)25(19101123(334)21(30)1419)2620(2917)1528(23)1622(26)31h51114252930H12131516H214H3
MFCD01823647
STK005359
ZINC000000709308
ZINC000000709309
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