Vitas-M small molecule compound
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK245494
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)c2ccco2)sc2c1CCC(C2)C(C)(C)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 C22H25N5O2S2 MW 455.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O2S2/c1-22(2,3)13-7-8-14-15(11-23)20(31-17(14)10-13)24-18(28)12-30-21-26-25-19(27(21)4)16-6-5-9-29-16/h5-6,9,13H,7-8,10,12H2,1-4H3,(H,24,28)InChIKey
AEPALNIXQMBLCK-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C(N3C)C4=CC=CO4
InChI=1SC22H25N5O2S2c122(23)13781415(1123)20(3117(14)1013)2418(28)123021262519(27(21)4)166592916h56913H781012H214H3(H2428)
MFCD06034098
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2((5(furan2yl)4methyl124triazol3yl)sulfanyl)acetamide
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2((5(furan2yl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000009306138
ZINC000009306140
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