Vitas-M small molecule compound
1-benzyl-9'-bromo-2'-(naphthalen-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK543728
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1ccc2c(c1)cccc2
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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 C31H28BrN3O MW 538.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3O/c32-26-12-13-30-27(19-26)29-20-28(25-11-10-23-8-4-5-9-24(23)18-25)33-35(29)31(36-30)14-16-34(17-15-31)21-22-6-2-1-3-7-22/h1-13,18-19,29H,14-17,20-21H2InChIKey
IHGJZNMYUSHNPN-UHFFFAOYSA-NSynonyms
488851-64-51benzyl9bromo2(naphthalen2yl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1benzyl9bromo2(naphthalen2yl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1BENZYL9BROMO2NAPHTHALEN2YLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
488851645
C1CN(CCC12N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Br)CC7=CC=CC=C7
InChI=1SC31H28BrN3Oc322612133027(1926)292028(25111023845924(23)1825)3335(29)31(3630)141634(171531)21226213722h113181929H14172021H2
MFCD03294643
ZINC000097951557
ZINC000097951558
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