Vitas-M small molecule compound
methyl 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
STK038360
SMILES COC(=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 C25H21BrClNO5 MW 530.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrClNO5/c1-12-22(25(30)31-2)23(16-9-20-21(10-17(16)26)33-11-32-20)24-18(28-12)7-14(8-19(24)29)13-3-5-15(27)6-4-13/h3-6,9-10,14,23,28H,7-8,11H2,1-2H3InChIKey
JPJGDYMZWKMZAG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4Br)OCO5)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC25H21BrClNO5c11222(25(30)312)23(1692021(1017(16)26)33113220)2418(2812)714(819(24)29)133515(27)6413h36910142328H7811H212H3
methyl4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(6bromo13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01571926
STK038360
ZINC000000853907
ZINC000000853910
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