Vitas-M small molecule compound
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STK960777
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)c1nn2c(n1)nc(cc2C(F)F)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 C22H24F2N6OS MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24F2N6OS/c1-5-22(3,4)12-6-7-13-14(10-25)20(32-16(13)9-12)28-19(31)18-27-21-26-11(2)8-15(17(23)24)30(21)29-18/h8,12,17H,5-7,9H2,1-4H3,(H,28,31)InChIKey
LSAPOFWLVMXTTD-UHFFFAOYSA-NSynonyms
445035-61-0445035610
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN4C(=CC(=NC4=N3)C)C(F)F
InChI=1SC22H24F2N6OSc1522(34)12671314(1025)20(3216(13)912)2819(31)1827212611(2)815(17(23)24)30(21)2918h81217H579H214H3(H2831)
MFCD02175901
N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidine2carboxamide
ZINC000002768811
ZINC000002768812
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