Vitas-M small molecule compound
9'-bromo-2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK867388
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCCCC1)c1ccccc1
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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 C21H21BrN2O MW 397.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O/c22-16-9-10-20-17(13-16)19-14-18(15-7-3-1-4-8-15)23-24(19)21(25-20)11-5-2-6-12-21/h1,3-4,7-10,13,19H,2,5-6,11-12,14H2InChIKey
YOHNSHGESHQVNS-UHFFFAOYSA-NSynonyms
2BROMO9PHENYLSPIRO(10AHBENZO(E)2PYRAZOLINO(15C)13OXAZINE61CYCLOHEXANE)
9bromo2phenyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine51cyclohexane)
9bromo2phenyl110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
9BROMO2PHENYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE51CYCLOHEXANE)
C1CCC2(CC1)N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)Br
InChI=1SC21H21BrN2Oc22169102017(1316)191418(157314815)2324(19)21(2520)115261221h1347101319H256111214H2
MFCD01542518
ZINC000004146231
ZINC000004146234
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