Vitas-M small molecule compound

ethyl 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
STL020846
SMILES CCOC(=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 C21H21F3N2O4S2 MW 486.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N2O4S2/c1-4-12-10(3)31-19(17(12)20(29)30-5-2)26-16(27)9-15-18(28)25-13-8-11(21(22,23)24)6-7-14(13)32-15/h6-8,15H,4-5,9H2,1-3H3,(H,25,28)(H,26,27)
InChIKey
GXWNISAQWHETBG-UHFFFAOYSA-N
Synonyms
938036-13-6
938036136
CCC1=C(SC(=C1C(=O)OCC)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C
ethyl4ethyl5methyl2(((3oxo6(trifluoromethyl)34dihydro2H14benzothiazin2yl)acetyl)amino)thiophene3carboxylate
ethyl4ethyl5methyl2((2(3oxo6(trifluoromethyl)4H14benzothiazin2yl)acetyl)amino)thiophene3carboxylate
ETHYL4ETHYL5METHYL2(2(3OXO6(TRIFLUOROMETHYL)(2H4HBENZO(E)14THIAZAPERHYDROIN2YL))ACETYLAMINO)THIOPHENE3CARBOXYLATE
ETHYL4ETHYL5METHYL2(2(3OXO6(TRIFLUOROMETHYL)34DIHYDRO2HBENZO(B)(14)THIAZIN2YL)ACETAMIDO)THIOPHENE3CARBOXYLATE
InChI=1SC21H21F3N2O4S2c141210(3)3119(17(12)20(29)3052)2616(27)91518(28)2513811(21(2223)24)6714(13)3215h6815H459H213H3(H2528)(H2627)
MFCD08547756
ZINC000009869985
ZINC000009869992

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Available files

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