Vitas-M small molecule compound
2-phenylethyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK064804
SMILES COc1cccc(c1)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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-18-24(27(31)33-14-13-19-9-6-5-7-10-19)25(20-11-8-12-21(15-20)32-4)26-22(29-18)16-28(2,3)17-23(26)30/h5-12,15,25,29H,13-14,16-17H2,1-4H3InChIKey
PQEHEKCBFSELGZ-UHFFFAOYSA-NSynonyms
2phenylethyl4(3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC)C(=O)OCCC4=CC=CC=C4
COc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
InChI=1SC28H31NO4c11824(27(31)3314131996571019)25(201181221(1520)324)2622(2918)1628(23)1723(26)30h512152529H13141617H214H3
MFCD02104410
STK064804
ZINC000000710575
ZINC000000710576
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