Vitas-M small molecule compound
methyl 2-[({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK696757
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(n1C)c1cc2c(o1)cccc2
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-25-19(17-11-13-7-3-6-10-16(13)29-17)23-24-21(25)30-12-18(26)22-15-9-5-4-8-14(15)20(27)28-2/h3-11H,12H2,1-2H3,(H,22,26)InChIKey
LKJGULGYXDTZAU-UHFFFAOYSA-NSynonyms
929850-99-7929850997
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC4=CC=CC=C4O3
InChI=1SC21H18N4O4Sc12519(1711137361016(13)2917)232421(25)301218(26)2215954814(15)20(27)282h311H12H212H3(H2226)
methyl2((((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2((5(1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2(2((5(benzofuran2yl)4methyl4H124triazol3yl)thio)acetamido)benzoate
MFCD09476193
ZINC000008990257
ZINC08990257
ZINC8990257
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