Vitas-M small molecule compound

2-(naphthalen-2-yl)-5-(3-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STK533206
SMILES [O-][N+](=O)c1cccc(c1)C1Oc2ccccc2C2N1N=C(C2)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 C26H19N3O3 MW 421.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O3/c30-29(31)21-9-5-8-20(15-21)26-28-24(22-10-3-4-11-25(22)32-26)16-23(27-28)19-13-12-17-6-1-2-7-18(17)14-19/h1-15,24,26H,16H2
InChIKey
VFIRWULDNDNTDY-UHFFFAOYSA-N
Synonyms
303060-06-2
(O)(N+)(=O)c1cccc(c1)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)cccc2
2(naphthalen2yl)5(3nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(NAPHTHALEN2YL)5(3NITROPHENYL)510BDIHYDRO1HBENZO(E)PYRAZOLO(15C)(13)OXAZINE
2NAPHTHALEN2YL5(3NITROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
303060062
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC26H19N3O3c3029(31)2195820(1521)262824(2210341125(22)3226)1623(2728)19131217612718(17)1419h1152426H16H2
MFCD02238631
ZINC000009301654
ZINC000012437005

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.