Vitas-M small molecule compound
methyl 4-ethyl-5-methyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STL020843
SMILES COC(=O)c1c(NC(=O)CC2Sc3ccc(cc3NC2=O)C(F)(F)F)sc(c1CC)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/c1-4-11-9(2)30-18(16(11)19(28)29-3)25-15(26)8-14-17(27)24-12-7-10(20(21,22)23)5-6-13(12)31-14/h5-7,14H,4,8H2,1-3H3,(H,24,27)(H,25,26)InChIKey
YYYZYMFBTVFZEC-UHFFFAOYSA-NSynonyms
938026-15-4938026154
CCC1=C(SC(=C1C(=O)OC)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C
InChI=1SC20H19F3N2O4S2c14119(2)3018(16(11)19(28)293)2515(26)81417(27)2412710(20(2122)23)5613(12)3114h5714H48H213H3(H2427)(H2526)
methyl4ethyl5methyl2(((3oxo6(trifluoromethyl)34dihydro2H14benzothiazin2yl)acetyl)amino)thiophene3carboxylate
methyl4ethyl5methyl2((2(3oxo6(trifluoromethyl)4H14benzothiazin2yl)acetyl)amino)thiophene3carboxylate
METHYL4ETHYL5METHYL2(2(3OXO6(TRIFLUOROMETHYL)(2H4HBENZO(E)14THIAZAPERHYDROIN2YL))ACETYLAMINO)THIOPHENE3CARBOXYLATE
METHYL4ETHYL5METHYL2(2(3OXO6(TRIFLUOROMETHYL)34DIHYDRO2HBENZO(B)(14)THIAZIN2YL)ACETAMIDO)THIOPHENE3CARBOXYLATE
MFCD08547751
ZINC000009869918
ZINC000009869925
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