Vitas-M small molecule compound
1-benzyl-9'-bromo-2'-[2-(difluoromethoxy)phenyl]-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK993349
SMILES FC(Oc1ccccc1C1=NN2C(C1)c1cc(Br)ccc1OC12CCN(CC1)Cc1ccccc1)F
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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 C28H26BrF2N3O2 MW 554.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrF2N3O2/c29-20-10-11-26-22(16-20)24-17-23(21-8-4-5-9-25(21)35-27(30)31)32-34(24)28(36-26)12-14-33(15-13-28)18-19-6-2-1-3-7-19/h1-11,16,24,27H,12-15,17-18H2InChIKey
GWNGXBUPMMDDPN-UHFFFAOYSA-NSynonyms
1benzyl9bromo2(2(difluoromethoxy)phenyl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1benzyl9bromo2(2(difluoromethoxy)phenyl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1BENZYL9BROMO2(2(DIFLUOROMETHOXY)PHENYL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
C1CN(CCC12N3C(CC(=N3)C4=CC=CC=C4OC(F)F)C5=C(O2)C=CC(=C5)Br)CC6=CC=CC=C6
InChI=1SC28H26BrF2N3O2c292010112622(1620)241723(21845925(21)3527(30)31)3234(24)28(3626)121433(151328)18196213719h111162427H12151718H2
MFCD03288545
ZINC000103623428
ZINC000103623434
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