Vitas-M small molecule compound
2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Catalog ID
STK118581
SMILES COc1cccc2c1oc(c2)c1nnc(n1C)SCC(=O)Nc1ccc(cc1)C
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-13-7-9-15(10-8-13)22-18(26)12-29-21-24-23-20(25(21)2)17-11-14-5-4-6-16(27-3)19(14)28-17/h4-11H,12H2,1-3H3,(H,22,26)InChIKey
ZCRGYHCUDULQDP-UHFFFAOYSA-NSynonyms
2((5(7METHOXY1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)N(4METHYLPHENYL)ACETAMIDE
2((5(7METHOXY1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(4METHYLPHENYL)ACETAMIDE
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC21H20N4O3Sc1137915(10813)2218(26)122921242320(25(21)2)17111454616(273)19(14)2817h411H12H213H3(H2226)
MFCD04091021
ZINC000004648706
ZINC04648706
ZINC4648706
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