Vitas-M small molecule compound
propan-2-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK052875
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2)C
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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 C21H22BrNO5 MW 448.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO5/c1-10(2)28-21(25)18-11(3)23-14-5-4-6-15(24)20(14)19(18)12-7-16-17(8-13(12)22)27-9-26-16/h7-8,10,19,23H,4-6,9H2,1-3H3InChIKey
HOOZNEUIJGXLML-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2)C
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OC(C)C
InChI=1SC21H22BrNO5c110(2)2821(25)1811(3)231454615(24)20(14)19(18)1271617(813(12)22)2792616h78101923H469H213H3
MFCD00619546
propan2yl4(6bromo13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(6bromo13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK052875
ZINC000019315162
ZINC000019315164
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