Vitas-M small molecule compound
ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Catalog ID
STK763278
SMILES CCOC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(c1C#N)CCCCC2
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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 C18H22F3N3O4S MW 433.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22F3N3O4S/c1-3-27-15(25)17(18(19,20)21,24-16(26)28-4-2)23-14-12(10-22)11-8-6-5-7-9-13(11)29-14/h23H,3-9H2,1-2H3,(H,24,26)InChIKey
HZLZDJCCAHCOFB-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C#N)NC(=O)OCC
ethyl2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2(ethoxycarbonylamino)333trifluoropropanoate
ethylN(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2((ethoxycarbonyl)amino)333trifluoroalaninate
InChI=1SC18H22F3N3O4Sc132715(25)17(18(1920)212416(26)2842)231412(1022)118657913(11)2914h23H39H212H3(H2426)
MFCD02324798
ZINC000003671790
ZINC000003671791
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