Vitas-M small molecule compound
[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl](tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
Catalog ID
STK532874
SMILES Brc1ccc(cc1)C1CC(=NN1C(=O)C12CC3CC(C2)CC(C1)C3)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Br
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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 C36H33Br2N3O MW 683.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33Br2N3O/c1-21-33(34(26-5-3-2-4-6-26)29-16-28(38)11-12-30(29)39-21)31-17-32(25-7-9-27(37)10-8-25)41(40-31)35(42)36-18-22-13-23(19-36)15-24(14-22)20-36/h2-12,16,22-24,32H,13-15,17-20H2,1H3InChIKey
GQUCOKDNCISUGM-UHFFFAOYSA-NSynonyms
(3(6bromo2methyl4phenylquinolin3yl)5(4bromophenyl)45dihydro1Hpyrazol1yl)(tricyclo(3311~37~)dec1yl)methanone
(3r5r7r)adamantan1yl(3(6bromo2methyl4phenylquinolin3yl)5(4bromophenyl)45dihydro1Hpyrazol1yl)methanone
1ADAMANTYL(5(6BROMO2METHYL4PHENYLQUINOLIN3YL)3(4BROMOPHENYL)34DIHYDROPYRAZOL2YL)METHANONE
CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=C(C=C5)Br)C(=O)C67CC8CC(C6)CC(C8)C7
InChI=1SC36H33Br2N3Oc12133(34(265324626)291628(38)111230(29)3921)311732(257927(37)10825)41(4031)35(42)3618221323(1936)1524(1422)2036h21216222432H13151720H21H3
MFCD02042374
ZINC000008397699
ZINC000008397704
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