Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-9-bromo-5-(2-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL232246
SMILES CCOc1ccccc1C1Oc2ccc(cc2C2N1N=C(C2)c1ccc2c(c1)OCO2)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 C25H21BrN2O4 MW 493.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O4/c1-2-29-21-6-4-3-5-17(21)25-28-20(18-12-16(26)8-10-22(18)32-25)13-19(27-28)15-7-9-23-24(11-15)31-14-30-23/h3-12,20,25H,2,13-14H2,1H3InChIKey
HXUPPRILVWMJIJ-UHFFFAOYSA-NSynonyms
845804-06-02(13benzodioxol5yl)9bromo5(2ethoxyphenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(13BENZODIOXOL5YL)9BROMO5(2ETHOXYPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
2(benzo(d)(13)dioxol5yl)9bromo5(2ethoxyphenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
845804060
CCOC1=CC=CC=C1C2N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Br
InChI=1SC25H21BrN2O4c122921643517(21)252820(181216(26)81022(18)3225)1319(2728)15792324(1115)31143023h3122025H21314H21H3
MFCD04170663
ZINC000009282003
ZINC000013769578
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