Vitas-M small molecule compound
9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK555290
SMILES CC1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(s1)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 C21H23BrN2OS MW 431.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2OS/c1-13-7-9-21(10-8-13)24-18(16-11-15(22)4-5-19(16)25-21)12-17(23-24)20-6-3-14(2)26-20/h3-6,11,13,18H,7-10,12H2,1-2H3InChIKey
CZAHJPZRCSZXAX-UHFFFAOYSA-NSynonyms
1022873-31-91022873319
9bromo4methyl2(5methylthiophen2yl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine51cyclohexane)
9bromo4methyl2(5methylthiophen2yl)110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
9BROMO4METHYL2(5METHYLTHIOPHEN2YL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE51CYCLOHEXANE)
CC1CCC2(CC1)N3C(CC(=N3)C4=CC=C(S4)C)C5=C(O2)C=CC(=C5)Br
InChI=1SC21H23BrN2OSc1137921(10813)2418(161115(22)4519(16)2521)1217(2324)206314(2)2620h36111318H71012H212H3
MFCD04010160
ZINC000009452175
ZINC000013510645
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