Vitas-M small molecule compound
3-[({[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK119540
SMILES COc1cccc2c1oc(c2)c1nnc(n1C)SCC(=O)Nc1cccc(c1)C(=O)O
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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 C21H18N4O5S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S/c1-25-19(16-10-12-5-4-8-15(29-2)18(12)30-16)23-24-21(25)31-11-17(26)22-14-7-3-6-13(9-14)20(27)28/h3-10H,11H2,1-2H3,(H,22,26)(H,27,28)InChIKey
NTNCUORWWRPYQQ-UHFFFAOYSA-NSynonyms
3((((5(7METHOXY1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((5(7METHOXY1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3(2(5(7METHOXYBENZOFURAN2YL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACID
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC21H18N4O5Sc12519(16101254815(292)18(12)3016)232421(25)311117(26)221473613(914)20(27)28h310H11H212H3(H2226)(H2728)
MFCD04154073
ZINC000008442068
ZINC8442068
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