Vitas-M small molecule compound
9'-bromo-2'-[4-(difluoromethoxy)phenyl]-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK534874
SMILES CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1)OC(F)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 C22H22BrF2N3O2 MW 478.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrF2N3O2/c1-27-10-8-22(9-11-27)28-19(17-12-15(23)4-7-20(17)30-22)13-18(26-28)14-2-5-16(6-3-14)29-21(24)25/h2-7,12,19,21H,8-11,13H2,1H3InChIKey
SDRHFZWQSGSKDH-UHFFFAOYSA-NSynonyms
9bromo2(4(difluoromethoxy)phenyl)1methyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
9bromo2(4(difluoromethoxy)phenyl)1methyl110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
9BROMO2(4(DIFLUOROMETHOXY)PHENYL)1METHYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
CN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)OC(F)F)C5=C(O2)C=CC(=C5)Br
InChI=1SC22H22BrF2N3O2c12710822(91127)2819(171215(23)4720(17)3022)1318(2628)142516(6314)2921(24)25h27121921H81113H21H3
MFCD02236424
ZINC000009301986
ZINC000009301987
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