Vitas-M small molecule compound
2-phenoxyethyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363485
SMILES COc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1
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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/c1-18-24(27(31)34-15-14-33-19-10-6-5-7-11-19)25(20-12-8-9-13-23(20)32-4)26-21(29-18)16-28(2,3)17-22(26)30/h5-13,25,29H,14-17H2,1-4H3InChIKey
VLGGXHXTCSDFCZ-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC)C(=O)OCCOC4=CC=CC=C4
InChI=1SC28H31NO5c11824(27(31)3415143319106571119)25(2012891323(20)324)2621(2918)1628(23)1722(26)30h5132529H1417H214H3
MFCD01193860
ZINC000002757495
ZINC000002757496
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