Vitas-M small molecule compound
ethyl 6-methyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL019681
SMILES CCOC(=O)c1c(NC(=O)CC2Sc3ccc(cc3NC2=O)C(F)(F)F)sc2c1CCC(C2)C
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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 C23H23F3N2O4S2 MW 512.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23F3N2O4S2/c1-3-32-22(31)19-13-6-4-11(2)8-16(13)34-21(19)28-18(29)10-17-20(30)27-14-9-12(23(24,25)26)5-7-15(14)33-17/h5,7,9,11,17H,3-4,6,8,10H2,1-2H3,(H,27,30)(H,28,29)InChIKey
SGEQXVPRMCWFDZ-UHFFFAOYSA-NSynonyms
685130-41-0685130410
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F
ethyl6methyl2(((3oxo6(trifluoromethyl)34dihydro2H14benzothiazin2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((2(3oxo6(trifluoromethyl)4H14benzothiazin2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H23F3N2O4S2c133222(31)19136411(2)816(13)3421(19)2818(29)101720(30)2714912(23(2425)26)5715(14)3317h5791117H346810H212H3(H2730)(H2829)
MFCD03545064
ZINC000000938463
ZINC000000938466
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