Vitas-M small molecule compound
9'-bromo-2'-(naphthalen-2-yl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK542649
SMILES CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc2c(c1)cccc2)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 C27H28BrN3O MW 490.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrN3O/c1-2-13-30-14-11-27(12-15-30)31-25(23-17-22(28)9-10-26(23)32-27)18-24(29-31)21-8-7-19-5-3-4-6-20(19)16-21/h3-10,16-17,25H,2,11-15,18H2,1H3InChIKey
KAPAJCOACWMDNF-UHFFFAOYSA-NSynonyms
303104-42-9303104429
9BROMO2(NAPHTHALEN2YL)1PROPYL110BDIHYDROSPIRO(BENZO(E)PYRAZOLO(15C)(13)OXAZINE54PIPERIDINE)
9bromo2(naphthalen2yl)1propyl110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
9BROMO2NAPHTHALEN2YL1PROPYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Br
InChI=1SC27H28BrN3Oc121330141127(121530)3125(231722(28)91026(23)3227)1824(2931)218719534620(19)1621h310161725H2111518H21H3
MFCD02675566
ZINC000009008064
ZINC000013598265
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