Vitas-M small molecule compound
1-[9'-bromo-2'-(4-chlorophenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl]ethanone
Catalog ID
STK993381
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(=O)C)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 C22H21BrClN3O2 MW 474.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrClN3O2/c1-14(28)26-10-8-22(9-11-26)27-20(18-12-16(23)4-7-21(18)29-22)13-19(25-27)15-2-5-17(24)6-3-15/h2-7,12,20H,8-11,13H2,1H3InChIKey
YXXJALORDMTKNC-UHFFFAOYSA-NSynonyms
890096-45-41(9bromo2(4chlorophenyl)110bdihydro1Hspiro(piperidine45pyrazolo(15c)(13)benzoxazin)1yl)ethanone
1(9bromo2(4chlorophenyl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidin)1yl)ethanone
1(9BROMO2(4CHLOROPHENYL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)1YL)ETHANONE
890096454
CC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=C(O2)C=CC(=C5)Br
InChI=1SC22H21BrClN3O2c114(28)2610822(91126)2720(181216(23)4721(18)2922)1319(2527)152517(24)6315h271220H81113H21H3
MFCD18184857
ZINC000009374874
ZINC000009374875
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