Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Catalog ID
STL364221
SMILES O=C(Nc1ccc(c(c1)C)C)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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-13-8-9-16(10-14(13)2)22-19(26)12-28-21-24-23-20(25(21)3)18-11-15-6-4-5-7-17(15)27-18/h4-11H,12H2,1-3H3,(H,22,26)InChIKey
YVHFCWJVGGYPSB-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)N(34dimethylphenyl)acetamide
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)N(34dimethylphenyl)acetamide
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3)C
InChI=1SC21H20N4O2Sc1138916(1014(13)2)2219(26)122821242320(25(21)3)181115645717(15)2718h411H12H213H3(H2226)
MFCD04385508
ZINC000006477981
ZINC06477981
ZINC6477981
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