Vitas-M small molecule compound
9'-bromo-2'-(4-fluorophenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK541814
SMILES Fc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCOC(C1)(C)C
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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 C22H22BrFN2O2 MW 445.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrFN2O2/c1-21(2)13-22(9-10-27-21)26-19(17-11-15(23)5-8-20(17)28-22)12-18(25-26)14-3-6-16(24)7-4-14/h3-8,11,19H,9-10,12-13H2,1-2H3InChIKey
UCCDIGWNGSSVDF-UHFFFAOYSA-NSynonyms
497245-18-8497245188
9bromo2(4fluorophenyl)22dimethyl1235610bhexahydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54pyran)
9bromo2(4fluorophenyl)22dimethyl1235610bhexahydrospiro(pyran45pyrazolo(15c)(13)benzoxazine)
9BROMO2(4FLUOROPHENYL)22DIMETHYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54OXANE)
CC1(CC2(CCO1)N3C(CC(=N3)C4=CC=C(C=C4)F)C5=C(O2)C=CC(=C5)Br)C
InChI=1SC22H22BrFN2O2c121(2)1322(9102721)2619(171115(23)5820(17)2822)1218(2526)143616(24)7414h381119H9101213H212H3
MFCD03297950
ZINC000009300020
ZINC000013595762
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