Vitas-M small molecule compound
9'-bromo-2'-(furan-2-yl)-7'-methoxy-4-methyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STL022285
SMILES COc1cc(Br)cc2c1OC1(CCC(CC1)C)N1C2CC(=N1)c1ccco1
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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 C21H23BrN2O3 MW 431.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O3/c1-13-5-7-21(8-6-13)24-17(12-16(23-24)18-4-3-9-26-18)15-10-14(22)11-19(25-2)20(15)27-21/h3-4,9-11,13,17H,5-8,12H2,1-2H3InChIKey
SEBAKERYNNEOBM-UHFFFAOYSA-NSynonyms
2BROMO9(2FURYL)4METHOXY14METHYLSPIRO(10AHBENZO(E)2PYRAZOLINO(15C)13OXAZINE64CYCLOHEXANE)
9bromo2(furan2yl)7methoxy4methyl110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
9bromo2(furan2yl)7methoxy4methylspiro(110bdihydropyrazolo(15c)(13)benzoxazine51cyclohexane)
CC1CCC2(CC1)N3C(CC(=N3)C4=CC=CO4)C5=CC(=CC(=C5O2)OC)Br
InChI=1SC21H23BrN2O3c1135721(8613)2417(1216(2324)184392618)151014(22)1119(252)20(15)2721h349111317H5812H212H3
MFCD06640439
ZINC000008717639
ZINC000008717640
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