Vitas-M small molecule compound
ethyl 2-{[(2-chlorophenyl)carbonyl]amino}-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoroalaninate
Catalog ID
STL327557
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)c1ccccc1Cl
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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 C22H21ClF3N3O3S MW 499.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClF3N3O3S/c1-2-32-20(31)21(22(24,25)26,28-18(30)14-9-6-7-10-16(14)23)29-19-15(12-27)13-8-4-3-5-11-17(13)33-19/h6-7,9-10,29H,2-5,8,11H2,1H3,(H,28,30)InChIKey
YAULMDJBESLTBO-UHFFFAOYSA-NSynonyms
352317-15-8352317158
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C#N)NC(=O)C3=CC=CC=C3Cl
ethyl2(((2chlorophenyl)carbonyl)amino)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)333trifluoroalaninate
ethyl2((2chlorobenzoyl)amino)2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoropropanoate
ethyl2(2chlorobenzamido)2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoropropanoate
InChI=1SC22H21ClF3N3O3Sc123220(31)21(22(2425)262818(30)149671016(14)23)291915(1227)1384351117(13)3319h6791029H25811H21H3(H2830)
MFCD01948281
ZINC000002281376
ZINC000002281377
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