Vitas-M small molecule compound
2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363464
SMILES COc1cccc(c1OC)C1C(=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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-18-24(28(32)36-15-14-35-19-10-7-6-8-11-19)25(20-12-9-13-23(33-4)27(20)34-5)26-21(30-18)16-29(2,3)17-22(26)31/h6-13,25,30H,14-17H2,1-5H3InChIKey
IWOHESVEMXBEAE-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(23dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(23dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)OC)OC)C(=O)OCCOC4=CC=CC=C4
InChI=1SC29H33NO6c11824(28(32)3615143519107681119)25(201291323(334)27(20)345)2621(3018)1629(23)1722(26)31h6132530H1417H215H3
MFCD01193802
ZINC000002776211
ZINC000002776212
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