Vitas-M small molecule compound
ethyl 4,5-dimethyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STL020229
SMILES CCOC(=O)c1c(NC(=O)CC2Sc3ccc(cc3NC2=O)C(F)(F)F)sc(c1C)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 C20H19F3N2O4S2 MW 472.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N2O4S2/c1-4-29-19(28)16-9(2)10(3)30-18(16)25-15(26)8-14-17(27)24-12-7-11(20(21,22)23)5-6-13(12)31-14/h5-7,14H,4,8H2,1-3H3,(H,24,27)(H,25,26)InChIKey
NTYUSFDHFJNKEC-UHFFFAOYSA-NSynonyms
303033-71-8303033718
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F
ETHYL45DIMETHYL2((((2R)3OXO6(TRIFLUOROMETHYL)34DIHYDRO2H14BENZOTHIAZIN2YL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
ethyl45dimethyl2(((3oxo6(trifluoromethyl)34dihydro2H14benzothiazin2yl)acetyl)amino)thiophene3carboxylate
ETHYL45DIMETHYL2((2(3OXO6(TRIFLUOROMETHYL)4H14BENZOTHIAZIN2YL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL45DIMETHYL2(2(3OXO6(TRIFLUOROMETHYL)(2H4HBENZO(E)14THIAZAPERHYDROIN2YL))ACETYLAMINO)THIOPHENE3CARBOXYLATE
ETHYL45DIMETHYL2(2(3OXO6(TRIFLUOROMETHYL)34DIHYDRO2HBENZO(B)(14)THIAZIN2YL)ACETAMIDO)THIOPHENE3CARBOXYLATE
InChI=1SC20H19F3N2O4S2c142919(28)169(2)10(3)3018(16)2515(26)81417(27)2412711(20(2122)23)5613(12)3114h5714H48H213H3(H2427)(H2526)
MFCD02081589
ZINC000000945346
ZINC000000945347
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