Vitas-M small molecule compound

2-(4-butoxyphenyl)-5-[4-(propan-2-yl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STK739963
SMILES CCCCOc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC2c1ccc(cc1)C(C)C

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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 C29H32N2O2 MW 440.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O2/c1-4-5-18-32-24-16-14-22(15-17-24)26-19-27-25-8-6-7-9-28(25)33-29(31(27)30-26)23-12-10-21(11-13-23)20(2)3/h6-17,20,27,29H,4-5,18-19H2,1-3H3
InChIKey
SLGJSGHSAKMINS-UHFFFAOYSA-N
Synonyms
371203-12-2
2(4butoxyphenyl)5(4(propan2yl)phenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(4butoxyphenyl)5(4isopropylphenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
2(4BUTOXYPHENYL)5(4PROPAN2YLPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
371203122
4BUTOXY1(6(4(METHYLETHYL)PHENYL)(6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN9YL))BENZENE
CCCCOC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5=CC=C(C=C5)C(C)C
InChI=1SC29H32N2O2c145183224161422(151724)26192725867928(25)3329(31(27)3026)23121021(111323)20(2)3h617202729H451819H213H3
MFCD03009460
ZINC000009085835
ZINC000245241882

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Available files

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