Vitas-M small molecule compound
9'-bromo-2'-(4-fluorophenyl)-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK740736
SMILES CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1)F)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 C21H21BrFN3O MW 430.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrFN3O/c1-25-10-8-21(9-11-25)26-19(17-12-15(22)4-7-20(17)27-21)13-18(24-26)14-2-5-16(23)6-3-14/h2-7,12,19H,8-11,13H2,1H3InChIKey
NPELZOQXQVLAGO-UHFFFAOYSA-NSynonyms
2BROMO9(4FLUOROPHENYL)14METHYLSPIRO(10AHBENZO(E)2PYRAZOLINO(15C)13OXAZINE64PIPERIDINE)
9bromo2(4fluorophenyl)1methyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
9bromo2(4fluorophenyl)1methyl110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
9BROMO2(4FLUOROPHENYL)1METHYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
CN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)F)C5=C(O2)C=CC(=C5)Br
InChI=1SC21H21BrFN3Oc12510821(91125)2619(171215(22)4720(17)2721)1318(2426)142516(23)6314h271219H81113H21H3
MFCD02236735
ZINC000008717688
ZINC000008717689
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