Vitas-M small molecule compound
methyl 2-{[(4-chlorophenyl)carbonyl]amino}-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoroalaninate
Catalog ID
STK527674
SMILES N#Cc1c(sc2c1CCCCC2)NC(C(F)(F)F)(C(=O)OC)NC(=O)c1ccc(cc1)Cl
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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 C21H19ClF3N3O3S MW 485.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClF3N3O3S/c1-31-19(30)20(21(23,24)25,27-17(29)12-7-9-13(22)10-8-12)28-18-15(11-26)14-5-3-2-4-6-16(14)32-18/h7-10,28H,2-6H2,1H3,(H,27,29)InChIKey
YPBDGGGCZISJPA-UHFFFAOYSA-NSynonyms
361989-69-7361989697
COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C#N)NC(=O)C3=CC=C(C=C3)Cl
InChI=1SC21H19ClF3N3O3Sc13119(30)20(21(2324)252717(29)127913(22)10812)281815(1126)145324616(14)3218h71028H26H21H3(H2729)
methyl2(((4chlorophenyl)carbonyl)amino)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)333trifluoroalaninate
methyl2((4chlorobenzoyl)amino)2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoropropanoate
methyl2(4chlorobenzamido)2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoropropanoate
MFCD01949133
ZINC000002281905
ZINC000002281906
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