Vitas-M small molecule compound
9'-bromo-4-methyl-2'-(5-methylfuran-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STL022283
SMILES CC1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(o1)C)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 C21H23BrN2O2 MW 415.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O2/c1-13-7-9-21(10-8-13)24-18(16-11-15(22)4-6-19(16)26-21)12-17(23-24)20-5-3-14(2)25-20/h3-6,11,13,18H,7-10,12H2,1-2H3InChIKey
RJPRHORQMGYRJC-UHFFFAOYSA-NSynonyms
2BROMO14METHYL9(5METHYL(2FURYL))SPIRO(10AHBENZO(E)2PYRAZOLINO(15C)13OXAZINE64CYCLOHEXANE)
9bromo4methyl2(5methylfuran2yl)110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
9bromo4methyl2(5methylfuran2yl)spiro(110bdihydropyrazolo(15c)(13)benzoxazine51cyclohexane)
CC1CCC2(CC1)N3C(CC(=N3)C4=CC=C(O4)C)C5=C(O2)C=CC(=C5)Br
InChI=1SC21H23BrN2O2c1137921(10813)2418(161115(22)4619(16)2621)1217(2324)205314(2)2520h36111318H71012H212H3
MFCD06640441
ZINC000004424271
ZINC000004424273
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