Vitas-M small molecule compound

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

Catalog ID
STK554112
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1cccnc1

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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 C26H25BrN4O MW 489.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN4O/c27-21-8-9-25-22(15-21)24-16-23(20-7-4-12-28-17-20)29-31(24)26(32-25)10-13-30(14-11-26)18-19-5-2-1-3-6-19/h1-9,12,15,17,24H,10-11,13-14,16,18H2
InChIKey
KJBPIWDCISRJNO-UHFFFAOYSA-N
Synonyms
840471-25-2
1benzyl9bromo2(pyridin3yl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1benzyl9bromo2(pyridin3yl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1BENZYL9BROMO2PYRIDIN3YLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
840471252
C1CN(CCC12N3C(CC(=N3)C4=CN=CC=C4)C5=C(O2)C=CC(=C5)Br)CC6=CC=CC=C6
InChI=1SC26H25BrN4Oc2721892522(1521)241623(207412281720)2931(24)26(3225)101330(141126)18195213619h1912151724H101113141618H2
MFCD04005226
ZINC000009462169
ZINC000009462170

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Available files

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