Vitas-M small molecule compound
2-phenoxyethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK067591
SMILES COc1cc(Br)c(cc1OC)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 C29H32BrNO6 MW 570.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32BrNO6/c1-17-25(28(33)37-12-11-36-18-9-7-6-8-10-18)26(19-13-23(34-4)24(35-5)14-20(19)30)27-21(31-17)15-29(2,3)16-22(27)32/h6-10,13-14,26,31H,11-12,15-16H2,1-5H3InChIKey
YBRWMZZQAVGXSC-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3Br)OC)OC)C(=O)OCCOC4=CC=CC=C4
COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1
InChI=1SC29H32BrNO6c11725(28(33)371211361897681018)26(191323(344)24(355)1420(19)30)2721(3117)1529(23)1622(27)32h61013142631H11121516H215H3
MFCD02188199
STK067591
ZINC000002779839
ZINC000002779840
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