Vitas-M small molecule compound
ethyl 2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)-5-propylthiophene-3-carboxylate
Catalog ID
STK988535
SMILES CCOC(=O)c1cc(sc1NC(=O)CC1Sc2ccc(cc2NC1=O)C(F)(F)F)CCC
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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 C21H21F3N2O4S2 MW 486.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N2O4S2/c1-3-5-12-9-13(20(29)30-4-2)19(31-12)26-17(27)10-16-18(28)25-14-8-11(21(22,23)24)6-7-15(14)32-16/h6-9,16H,3-5,10H2,1-2H3,(H,25,28)(H,26,27)InChIKey
XXXGZAAZNGIJTC-UHFFFAOYSA-NSynonyms
1105199-09-41105199094
CCCC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OCC
ethyl2(((3oxo6(trifluoromethyl)34dihydro2H14benzothiazin2yl)acetyl)amino)5propylthiophene3carboxylate
ethyl2((2(3oxo6(trifluoromethyl)4H14benzothiazin2yl)acetyl)amino)5propylthiophene3carboxylate
ETHYL2(2(3OXO6(TRIFLUOROMETHYL)34DIHYDRO2HBENZO(B)(14)THIAZIN2YL)ACETAMIDO)5PROPYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H21F3N2O4S2c13512913(20(29)3042)19(3112)2617(27)101618(28)2514811(21(2223)24)6715(14)3216h6916H3510H212H3(H2528)(H2627)
MFCD11993283
ZINC000023118614
ZINC000023118616
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