Vitas-M small molecule compound

ethyl 5-ethyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)thiophene-3-carboxylate

Catalog ID
STL019679
SMILES CCOC(=O)c1cc(sc1NC(=O)CC1Sc2ccc(cc2NC1=O)C(F)(F)F)CC

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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/c1-3-11-8-12(19(28)29-4-2)18(30-11)25-16(26)9-15-17(27)24-13-7-10(20(21,22)23)5-6-14(13)31-15/h5-8,15H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)
InChIKey
WNTVDORQWPDOFX-UHFFFAOYSA-N
Synonyms

CCC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OCC
ETHYL5ETHYL2((((2S)3OXO6(TRIFLUOROMETHYL)34DIHYDRO2H14BENZOTHIAZIN2YL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5ETHYL2(((3OXO6(TRIFLUOROMETHYL)34DIHYDRO2H14BENZOTHIAZIN2YL)ACETYL)AMINO)3THIOPHENECARBOXYLATE
ethyl5ethyl2(((3oxo6(trifluoromethyl)34dihydro2H14benzothiazin2yl)acetyl)amino)thiophene3carboxylate
ETHYL5ETHYL2((2(3OXO6(TRIFLUOROMETHYL)4H14BENZOTHIAZIN2YL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5ETHYL2(2(3OXO6(TRIFLUOROMETHYL)(2H4HBENZO(E)14THIAZIN2YL))ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC20H19F3N2O4S2c1311812(19(28)2942)18(3011)2516(26)91517(27)2413710(20(2122)23)5614(13)3115h5815H349H212H3(H2427)(H2526)
MFCD03545061
ZINC000000938457
ZINC000000938458

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.