Vitas-M small molecule compound
1,1-dimethyl-2'-(naphthalen-2-yl)-1',10b'-dihydrospiro[piperidinium-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STL147213
SMILES C[N+]1(C)CCC2(CC1)Oc1ccccc1C1N2N=C(C1)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 C26H28N3O MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N3O/c1-29(2)15-13-26(14-16-29)28-24(22-9-5-6-10-25(22)30-26)18-23(27-28)21-12-11-19-7-3-4-8-20(19)17-21/h3-12,17,24H,13-16,18H2,1-2H3/q+1InChIKey
WUCYGYDCOMQTKB-UHFFFAOYSA-NSynonyms
11dimethyl2(naphthalen2yl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidin)1iumiodide
11dimethyl2(naphthalen2yl)110bdihydrospiro(piperidinium45pyrazolo(15c)(13)benzoxazine)
11DIMETHYL2NAPHTHALEN2YLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDIN1IUM)
C(N+)1(C)CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)cccc2
C(N+)1(C)CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)cccc2(I)
C(N+)1(CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6O2)C
InChI=1SC26H28N3Oc129(2)151326(141629)2824(229561025(22)3026)1823(2728)21121119734820(19)1721h3121724H131618H212H3q+1
MFCD03300759
ZINC000004937117
ZINC000004937122
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