Vitas-M small molecule compound
ethyl N-[(2-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino}alaninate
Catalog ID
STK690006
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
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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 C21H18ClF3N4O5S2 MW 562.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClF3N4O5S2/c1-2-34-18(31)20(21(23,24)25,28-17(30)15-5-3-4-6-16(15)22)27-13-7-9-14(10-8-13)36(32,33)29-19-26-11-12-35-19/h3-12,27H,2H2,1H3,(H,26,29)(H,28,30)InChIKey
VPHNEIXQXJWWSF-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2)NC(=O)C3=CC=CC=C3Cl
ETHYL2((2CHLOROBENZOYL)AMINO)333TRIFLUORO2(4(13THIAZOL2YLSULFAMOYL)ANILINO)PROPANOATE
ethylN((2chlorophenyl)carbonyl)333trifluoro2((4(13thiazol2ylsulfamoyl)phenyl)amino)alaninate
InChI=1SC21H18ClF3N4O5S2c123418(31)20(21(2324)252817(30)15534616(15)22)27137914(10813)36(3233)29192611123519h31227H2H21H3(H2629)(H2830)
MFCD03005002
ZINC000098023013
ZINC000098023016
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