Vitas-M small molecule compound
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Catalog ID
STK760471
SMILES CCOC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(c1C(=O)N)CCCC2
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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 C17H22F3N3O5S MW 437.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22F3N3O5S/c1-3-27-14(25)16(17(18,19)20,23-15(26)28-4-2)22-13-11(12(21)24)9-7-5-6-8-10(9)29-13/h22H,3-8H2,1-2H3,(H2,21,24)(H,23,26)InChIKey
HNZGOVROJXXBJZ-UHFFFAOYSA-NSynonyms
296891-66-2296891662
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)OCC
ethyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2(ethoxycarbonylamino)333trifluoropropanoate
ethyl2((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)2((ethoxycarbonyl)amino)333trifluoropropanoate
ethylN(3carbamoyl4567tetrahydro1benzothiophen2yl)2((ethoxycarbonyl)amino)333trifluoroalaninate
InChI=1SC17H22F3N3O5Sc132714(25)16(17(1819)202315(26)2842)221311(12(21)24)9756810(9)2913h22H38H212H3(H22124)(H2326)
MFCD01821769
ZINC000002270317
ZINC000002270318
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