Vitas-M small molecule compound
3'-benzyl-9'-bromo-4,4-dimethyl-2',3',4',4a'-tetrahydro-1'H,2H,6H,6'H-spiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione
Catalog ID
STL448444
SMILES Brc1ccc2c(c1)N1CCC(CC1C1(C2)C(=O)CC(CC1=O)(C)C)Cc1ccccc1
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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 C27H30BrNO2 MW 480.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30BrNO2/c1-26(2)16-24(30)27(25(31)17-26)15-20-8-9-21(28)14-22(20)29-11-10-19(13-23(27)29)12-18-6-4-3-5-7-18/h3-9,14,19,23H,10-13,15-17H2,1-2H3InChIKey
GLRAOORMWGXIJK-UHFFFAOYSA-NSynonyms
3benzyl9bromo44dimethyl2344atetrahydro1H2H6H6Hspiro(cyclohexane15pyrido(12a)quinoline)26dione
3benzyl9bromo55dimethylspiro(12344a6hexahydrobenzo(c)quinolizine52cyclohexane)13dione
CC1(CC(=O)C2(CC3=C(C=C(C=C3)Br)N4C2CC(CC4)CC5=CC=CC=C5)C(=O)C1)C
InChI=1SC27H30BrNO2c126(2)1624(30)27(25(31)1726)15208921(28)1422(20)29111019(1323(27)29)12186435718h39141923H10131517H212H3
MFCD07773869
ZINC000008773763
ZINC000229988481
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