Vitas-M small molecule compound
dimethyl 2-({[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STL381599
SMILES COC(=O)c1ccc(cc1NC(=O)CSc1nnc(n1C)c1ccccc1)C(=O)OC
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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 C21H20N4O5S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S/c1-25-18(13-7-5-4-6-8-13)23-24-21(25)31-12-17(26)22-16-11-14(19(27)29-2)9-10-15(16)20(28)30-3/h4-11H,12H2,1-3H3,(H,22,26)InChIKey
UMLPPTLNZXHHDV-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CC=C3
dimethyl2((((4methyl5phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
DIMETHYL2((2((4METHYL5PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC21H20N4O5Sc12518(137546813)232421(25)311217(26)22161114(19(27)292)91015(16)20(28)303h411H12H213H3(H2226)
MFCD06079367
ZINC000002877375
ZINC02877375
ZINC2877375
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