Vitas-M small molecule compound
2'-(4-bromophenyl)-9'-chloro-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK885253
SMILES Brc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OC12CCCCC1
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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 C21H20BrClN2O MW 431.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrClN2O/c22-15-6-4-14(5-7-15)18-13-19-17-12-16(23)8-9-20(17)26-21(25(19)24-18)10-2-1-3-11-21/h4-9,12,19H,1-3,10-11,13H2InChIKey
AIAMFFAXZFBPCQ-UHFFFAOYSA-NSynonyms
2(4bromophenyl)9chloro110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
2(4BROMOPHENYL)9CHLOROSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE51CYCLOHEXANE)
C1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=C(O2)C=CC(=C5)Cl
InChI=1SC21H20BrClN2Oc22156414(5715)181319171216(23)8920(17)2621(25(19)2418)102131121h491219H13101113H2
MFCD02667047
ZINC000025558593
ZINC000025558597
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