Vitas-M small molecule compound
ethyl 2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(pentanoylamino)propan-2-yl]amino}-1,3-benzothiazole-6-carboxylate
Catalog ID
STK541776
SMILES CCCCC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(n1)ccc(c2)C(=O)OCC
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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 C20H24F3N3O5S MW 475.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24F3N3O5S/c1-4-7-8-15(27)25-19(20(21,22)23,17(29)31-6-3)26-18-24-13-10-9-12(11-14(13)32-18)16(28)30-5-2/h9-11H,4-8H2,1-3H3,(H,24,26)(H,25,27)InChIKey
JMKHHZILIIVGHO-UHFFFAOYSA-NSynonyms
489433-26-3(S)ethyl2((3ethoxy111trifluoro3oxo2pentanamidopropan2yl)amino)benzo(d)thiazole6carboxylate
2(1ETHOXYCARBONYL222TRIFLUORO1PENTANOYLAMINOETHYLAMINO)BENZOTHIAZOLE6CARBOXYLICACIDETHYLESTER
489433263
CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC
ETHYL2((1(ETHOXYCARBONYL)222TRIFLUORO1(PENTANOYLAMINO)ETHYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
ethyl2((3ethoxy111trifluoro3oxo2(pentanoylamino)propan2yl)amino)13benzothiazole6carboxylate
InChI=1SC20H24F3N3O5Sc147815(27)2519(20(2122)2317(29)3163)2618241310912(1114(13)3218)16(28)3052h911H48H213H3(H2426)(H2527)
MFCD03067341
ZINC000009359615
ZINC000009359616
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