Vitas-M small molecule compound
(2E)-3-[(2,4-dichlorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK898174
SMILES N#C/C(=C\Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1cc2ccccc2oc1=O
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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 C21H11Cl2N3O2S MW 440.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11Cl2N3O2S/c22-14-5-6-17(16(23)8-14)25-10-13(9-24)20-26-18(11-29-20)15-7-12-3-1-2-4-19(12)28-21(15)27/h1-8,10-11,25H/b13-10+InChIKey
IYKIEGLWNIIAQZ-JLHYYAGUSA-NSynonyms
(2E)3((24dichlorophenyl)amino)2(4(2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(E)3(24dichloroanilino)2(4(2oxochromen3yl)13thiazol2yl)prop2enenitrile
(Z)3((24dichlorophenyl)amino)2(4(2oxo2Hchromen3yl)thiazol2yl)acrylonitrile
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CNC4=C(C=C(C=C4)Cl)Cl)C#N
InChI=1SC21H11Cl2N3O2Sc22145617(16(23)814)251013(924)202618(112920)15712312419(12)2821(15)27h18101125Hb1310+
MFCD18172873
N#CC(=CNc1ccc(cc1Cl)Cl)c1scc(n1)c1cc2ccccc2oc1=O
ZINC000009327353
ZINC9327353
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