Vitas-M small molecule compound
9'-bromo-2'-(naphthalen-1-yl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK993409
SMILES CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1cccc2c1cccc2)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/c1-2-14-30-15-12-27(13-16-30)31-25(23-17-20(28)10-11-26(23)32-27)18-24(29-31)22-9-5-7-19-6-3-4-8-21(19)22/h3-11,17,25H,2,12-16,18H2,1H3InChIKey
KLVACEBMLCQWFJ-UHFFFAOYSA-NSynonyms
9bromo2(naphthalen1yl)1propyl110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
9bromo2naphthalen1yl1propylspiro(110bdihydropyrazolo(15c)(13)benzoxazine54piperidine)
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=CC5=CC=CC=C54)C6=C(O2)C=CC(=C6)Br
InChI=1SC27H28BrN3Oc121430151227(131630)3125(231720(28)101126(23)3227)1824(2931)2295719634821(19)22h3111725H2121618H21H3
MFCD18184870
ZINC000051329956
ZINC000051329958
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