Vitas-M small molecule compound
dimethyl 5-{(E)-2-cyano-2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]ethenyl}benzene-1,3-dicarboxylate
Catalog ID
STK898934
SMILES N#C/C(=C\c1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1cccc2c1cccc2
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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 C26H18N2O4S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N2O4S/c1-31-25(29)18-10-16(11-19(13-18)26(30)32-2)12-20(14-27)24-28-23(15-33-24)22-9-5-7-17-6-3-4-8-21(17)22/h3-13,15H,1-2H3/b20-12+InChIKey
WBRHGXVVMOPLTG-UDWIEESQSA-NSynonyms
COC(=O)C1=CC(=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC=CC4=CC=CC=C43)C(=O)OC
dimethyl5((E)2cyano2(4(naphthalen1yl)13thiazol2yl)ethenyl)benzene13dicarboxylate
dimethyl5((E)2cyano2(4naphthalen1yl13thiazol2yl)ethenyl)benzene13dicarboxylate
InChI=1SC26H18N2O4Sc13125(29)181016(1119(1318)26(30)322)1220(1427)242823(153324)2295717634821(17)22h31315H12H3b2012+
MFCD18173205
N#CC(=Cc1cc(cc(c1)C(=O)OC)C(=O)OC)c1scc(n1)c1cccc2c1cccc2
ZINC000044835409
ZINC44835409
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