Vitas-M small molecule compound

1-benzyl-9'-bromo-2'-[4-(difluoromethoxy)phenyl]-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

Catalog ID
STK554307
SMILES FC(Oc1ccc(cc1)C1=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/c29-21-8-11-26-23(16-21)25-17-24(20-6-9-22(10-7-20)35-27(30)31)32-34(25)28(36-26)12-14-33(15-13-28)18-19-4-2-1-3-5-19/h1-11,16,25,27H,12-15,17-18H2
InChIKey
AKTRUFFRYKLPSC-UHFFFAOYSA-N
Synonyms

1benzyl9bromo2(4(difluoromethoxy)phenyl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1benzyl9bromo2(4(difluoromethoxy)phenyl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1BENZYL9BROMO2(4(DIFLUOROMETHOXY)PHENYL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
C1CN(CCC12N3C(CC(=N3)C4=CC=C(C=C4)OC(F)F)C5=C(O2)C=CC(=C5)Br)CC6=CC=CC=C6
InChI=1SC28H26BrF2N3O2c29218112623(1621)251724(206922(10720)3527(30)31)3234(25)28(3626)121433(151328)18194213519h111162527H12151718H2
MFCD04005534
ZINC000102467957
ZINC000102467962

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Available files

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