Vitas-M small molecule compound
2-ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK027432
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C28H27BrClNO6 MW 588.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrClNO6/c1-3-34-8-9-35-28(33)25-15(2)31-21-10-17(16-4-6-18(30)7-5-16)11-22(32)27(21)26(25)19-12-23-24(13-20(19)29)37-14-36-23/h4-7,12-13,17,26,31H,3,8-11,14H2,1-2H3InChIKey
ZKGCOJPBHUVJQK-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccc(cc1)Cl
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)Cl)C
InChI=1SC28H27BrClNO6c1334893528(33)2515(2)31211017(164618(30)7516)1122(32)27(21)26(25)19122324(1320(19)29)37143623h471213172631H381114H212H3
MFCD01823654
STK027432
ZINC000002926369
ZINC000002926378
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