Vitas-M small molecule compound
ethyl 4-{[5,7,8-trifluoro-4-(furan-2-ylmethyl)-1,1-dioxido-3,4-dihydro-2H-1,4-benzothiazin-6-yl]carbonyl}piperazine-1-carboxylate
Catalog ID
STK637838
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1c(F)c(F)c2c(c1F)N(CCS2(=O)=O)Cc1ccco1
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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 C21H22F3N3O6S MW 501.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3O6S/c1-2-32-21(29)26-7-5-25(6-8-26)20(28)14-15(22)17(24)19-18(16(14)23)27(9-11-34(19,30)31)12-13-4-3-10-33-13/h3-4,10H,2,5-9,11-12H2,1H3InChIKey
PMTWVEIZELIZGY-UHFFFAOYSA-NSynonyms
1010915-99-71010915997
CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(C(=C2F)F)S(=O)(=O)CCN3CC4=CC=CO4)F
ethyl4((578trifluoro4(furan2ylmethyl)11dioxido34dihydro2H14benzothiazin6yl)carbonyl)piperazine1carboxylate
ethyl4(578trifluoro4(furan2ylmethyl)11dioxido34dihydro2Hbenzo(b)(14)thiazine6carbonyl)piperazine1carboxylate
ethyl4(578trifluoro4(furan2ylmethyl)11dioxo23dihydro1$l^(6)4benzothiazine6carbonyl)piperazine1carboxylate
InChI=1SC21H22F3N3O6Sc123221(29)267525(6826)20(28)1415(22)17(24)1918(16(14)23)27(91134(1930)31)121343103313h3410H2591112H21H3
MFCD12204060
ZINC000012324915
ZINC12324915
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