Vitas-M small molecule compound
methyl 2-[({[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK129554
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(n1C)c1oc2c(c1)cccc2OC
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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 C22H20N4O5S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S/c1-26-20(17-11-13-7-6-10-16(29-2)19(13)31-17)24-25-22(26)32-12-18(27)23-15-9-5-4-8-14(15)21(28)30-3/h4-11H,12H2,1-3H3,(H,23,27)InChIKey
MPQLXQMJVGKYPV-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC22H20N4O5Sc12620(171113761016(292)19(13)3117)242522(26)321218(27)2315954814(15)21(28)303h411H12H213H3(H2327)
METHYL2((((5(7METHOXY1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((5(7METHOXY1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04342685
ZINC000001123682
ZINC01123682
ZINC1123682
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