Vitas-M small molecule compound

9'-bromo-4,4-dimethyl-3'-phenyl-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
STL448443
SMILES Brc1ccc2c(c1)N1CCC(CC1C1(C2)C(=O)CC(CC1=O)(C)C)c1ccccc1

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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 C26H28BrNO2 MW 466.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28BrNO2/c1-25(2)15-23(29)26(24(30)16-25)14-19-8-9-20(27)13-21(19)28-11-10-18(12-22(26)28)17-6-4-3-5-7-17/h3-9,13,18,22H,10-12,14-16H2,1-2H3
InChIKey
QDWDRBXQFKKLOF-UHFFFAOYSA-N
Synonyms

9bromo44dimethyl3phenyl2344atetrahydro1H2H6H6Hspiro(cyclohexane15pyrido(12a)quinoline)26dione
9bromo55dimethyl3phenylspiro(12344a6hexahydrobenzo(c)quinolizine52cyclohexane)13dione
CC1(CC(=O)C2(CC3=C(C=C(C=C3)Br)N4C2CC(CC4)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC26H28BrNO2c125(2)1523(29)26(24(30)1625)14198920(27)1321(19)28111018(1222(26)28)176435717h39131822H10121416H212H3
MFCD07773868
ZINC000008773761
ZINC000229988469

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Available files

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