Vitas-M small molecule compound
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate
Catalog ID
STL327529
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCCC2)NC(=O)N(C)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 C17H23F3N4O4S MW 436.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23F3N4O4S/c1-4-28-14(26)16(17(18,19)20,23-15(27)24(2)3)22-13-11(12(21)25)9-7-5-6-8-10(9)29-13/h22H,4-8H2,1-3H3,(H2,21,25)(H,23,27)InChIKey
RKBPRFMTLYZJPT-UHFFFAOYSA-NSynonyms
309730-83-4309730834
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)N(C)C
ethyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2(dimethylcarbamoylamino)333trifluoropropanoate
ethyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)N(dimethylcarbamoyl)333trifluoroalaninate
ethyl2((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)2(33dimethylureido)333trifluoropropanoate
InChI=1SC17H23F3N4O4Sc142814(26)16(17(1819)202315(27)24(2)3)221311(12(21)25)9756810(9)2913h22H48H213H3(H22125)(H2327)
MFCD01872312
ZINC000002280985
ZINC000002280986
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