Vitas-M small molecule compound
dimethyl 5-{(E)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}benzene-1,3-dicarboxylate
Catalog ID
STK898931
SMILES N#C/C(=C\c1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(c(c1)Cl)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 C22H14Cl2N2O4S MW 473.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2N2O4S/c1-29-21(27)14-5-12(6-15(8-14)22(28)30-2)7-16(10-25)20-26-19(11-31-20)13-3-4-17(23)18(24)9-13/h3-9,11H,1-2H3/b16-7+InChIKey
ZJWPBRCLQUXDOR-FRKPEAEDSA-NSynonyms
COC(=O)C1=CC(=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC
dimethyl5((E)2cyano2(4(34dichlorophenyl)13thiazol2yl)ethenyl)benzene13dicarboxylate
InChI=1SC22H14Cl2N2O4Sc12921(27)14512(615(814)22(28)302)716(1025)202619(113120)133417(23)18(24)913h3911H12H3b167+
MFCD18173202
N#CC(=Cc1cc(cc(c1)C(=O)OC)C(=O)OC)c1scc(n1)c1ccc(c(c1)Cl)Cl
ZINC000044835398
ZINC44835398
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