Vitas-M small molecule compound
2'-(1,3-benzodioxol-5-yl)-9'-bromo-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK543355
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccc2c(c1)OCO2
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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 C28H25BrN2O3 MW 517.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN2O3/c29-21-7-9-25-22(15-21)24-16-23(20-6-8-26-27(14-20)33-17-32-26)30-31(24)28(34-25)12-10-19(11-13-28)18-4-2-1-3-5-18/h1-9,14-15,19,24H,10-13,16-17H2InChIKey
DPAHBPPZKIIBBC-UHFFFAOYSA-NSynonyms
1022426-90-91022426909
2(13benzodioxol5yl)9bromo4phenyl110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
2(13BENZODIOXOL5YL)9BROMO4PHENYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE51CYCLOHEXANE)
2(benzo(d)(13)dioxol5yl)9bromo4phenyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine51cyclohexane)
C1CC2(CCC1C3=CC=CC=C3)N4C(CC(=N4)C5=CC6=C(C=C5)OCO6)C7=C(O2)C=CC(=C7)Br
InChI=1SC28H25BrN2O3c2921792522(1521)241623(20682627(1420)33173226)3031(24)28(3425)121019(111328)184213518h1914151924H10131617H2
MFCD03298766
ZINC000009301583
ZINC000009301584
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