Vitas-M small molecule compound
2-ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK094219
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccc(cc1)OC
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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 C29H30BrNO7 MW 584.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrNO7/c1-4-35-9-10-36-29(33)26-16(2)31-22-11-18(17-5-7-19(34-3)8-6-17)12-23(32)28(22)27(26)20-13-24-25(14-21(20)30)38-15-37-24/h5-8,13-14,18,27,31H,4,9-12,15H2,1-3H3InChIKey
CSENIHBGMSCXSP-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(6bromo13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(6bromo13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccc(cc1)OC
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C
InChI=1SC29H30BrNO7c14359103629(33)2616(2)31221118(175719(343)8617)1223(32)28(22)27(26)20132425(1421(20)30)38153724h581314182731H491215H213H3
MFCD02632907
STK094219
ZINC000100553103
ZINC000100553113
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