Vitas-M small molecule compound
7',9'-dichloro-2'-(3,4-dimethoxyphenyl)-1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK885247
SMILES COc1ccc(cc1OC)C1=NN2C(C1)c1cc(Cl)cc(c1OC12CCCC1)Cl
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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 C22H22Cl2N2O3 MW 433.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N2O3/c1-27-19-6-5-13(9-20(19)28-2)17-12-18-15-10-14(23)11-16(24)21(15)29-22(26(18)25-17)7-3-4-8-22/h5-6,9-11,18H,3-4,7-8,12H2,1-2H3InChIKey
JTBZHJKIEFOEER-UHFFFAOYSA-NSynonyms
79dichloro2(34dimethoxyphenyl)110bdihydrospiro(cyclopentane15pyrazolo(15c)(13)benzoxazine)
79DICHLORO2(34DIMETHOXYPHENYL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE51CYCLOPENTANE)
COC1=C(C=C(C=C1)C2=NN3C(C2)C4=CC(=CC(=C4OC35CCCC5)Cl)Cl)OC
InChI=1SC22H22Cl2N2O3c127196513(920(19)282)171218151014(23)1116(24)21(15)2922(26(18)2517)734822h5691118H347812H212H3
MFCD02676245
ZINC000025579174
ZINC000025579178
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