Vitas-M small molecule compound
2'-(1,3-benzodioxol-5-yl)-9'-bromo-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK993346
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCOC(C1)(C)C)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 C23H23BrN2O4 MW 471.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O4/c1-22(2)12-23(7-8-29-22)26-18(16-10-15(24)4-6-19(16)30-23)11-17(25-26)14-3-5-20-21(9-14)28-13-27-20/h3-6,9-10,18H,7-8,11-13H2,1-2H3InChIKey
IDCGBUCRKSCJJD-UHFFFAOYSA-NSynonyms
671761-77-62(13benzodioxol5yl)9bromo22dimethyl1235610bhexahydrospiro(pyran45pyrazolo(15c)(13)benzoxazine)
2(13BENZODIOXOL5YL)9BROMO22DIMETHYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54OXANE)
2(benzo(d)(13)dioxol5yl)9bromo22dimethyl1235610bhexahydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54pyran)
671761776
CC1(CC2(CCO1)N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Br)C
InChI=1SC23H23BrN2O4c122(2)1223(782922)2618(161015(24)4619(16)3023)1117(2526)14352021(914)28132720h3691018H781113H212H3
MFCD03267745
ZINC000008816880
ZINC000012661312
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