Vitas-M small molecule compound
4-[2-(3,4-dimethoxyphenyl)ethyl]-5,7,8-trifluoro-N-(3-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide 1,1-dioxide
Catalog ID
STK645949
SMILES COc1cc(CCN2CCS(=O)(=O)c3c2c(F)c(C(=O)Nc2cccc(c2)F)c(c3F)F)ccc1OC
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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 C25H22F4N2O5S MW 538.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F4N2O5S/c1-35-17-7-6-14(12-18(17)36-2)8-9-31-10-11-37(33,34)24-22(29)20(27)19(21(28)23(24)31)25(32)30-16-5-3-4-15(26)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,30,32)InChIKey
QPDQSZRMTUGVGL-UHFFFAOYSA-NSynonyms
1010904-85-41010904854
4(2(34dimethoxyphenyl)ethyl)578trifluoroN(3fluorophenyl)11dioxo23dihydro1$l^(6)4benzothiazine6carboxamide
4(2(34dimethoxyphenyl)ethyl)578trifluoroN(3fluorophenyl)34dihydro2H14benzothiazine6carboxamide11dioxide
4(34dimethoxyphenethyl)578trifluoroN(3fluorophenyl)34dihydro2Hbenzo(b)(14)thiazine6carboxamide11dioxide
COC1=C(C=C(C=C1)CCN2CCS(=O)(=O)C3=C2C(=C(C(=C3F)F)C(=O)NC4=CC(=CC=C4)F)F)OC
InChI=1SC25H22F4N2O5Sc135177614(1218(17)362)8931101137(3334)2422(29)20(27)19(21(28)23(24)31)25(32)301653415(26)1316h371213H811H212H3(H3032)
MFCD12201796
ZINC000101528342
ZINC101528342
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