Vitas-M small molecule compound
(2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)prop-2-enamide
Catalog ID
STK862025
SMILES N#Cc1c(NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/c2ccccc2)sc2c1CCCC2
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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 C21H19Cl3N4OS2 MW 513.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl3N4OS2/c22-21(23,24)19(26-17(29)11-10-13-6-2-1-3-7-13)28-20(30)27-18-15(12-25)14-8-4-5-9-16(14)31-18/h1-3,6-7,10-11,19H,4-5,8-9H2,(H,26,29)(H2,27,28,30)/b11-10+InChIKey
SAMARFHZEGYCIT-ZHACJKMWSA-NSynonyms
(2E)3phenylN(222trichloro1(((3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)amino)ethyl)prop2enamide
(E)3phenylN(222trichloro1((3cyano4567tetrahydro1benzothiophen2yl)carbamothioylamino)ethyl)prop2enamide
C1CCC2=C(C1)C(=C(S2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C=CC3=CC=CC=C3)C#N
InChI=1SC21H19Cl3N4OS2c2221(2324)19(2617(29)1110136213713)2820(30)271815(1225)14845916(14)3118h1367101119H4589H2(H2629)(H2272830)b1110+
MFCD00548606
N#Cc1c(NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C=Cc2ccccc2)sc2c1CCCC2
ZINC000002687911
ZINC000022204332
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