Vitas-M small molecule compound
N-(6-tert-butyl-3-cyano-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
STK960654
SMILES N#Cc1c(NC(=O)c2nn3c(n2)nc(cc3C(F)F)C)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 C21H22F2N6OS MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F2N6OS/c1-10-7-14(16(22)23)29-20(25-10)26-17(28-29)18(30)27-19-13(9-24)12-6-5-11(21(2,3)4)8-15(12)31-19/h7,11,16H,5-6,8H2,1-4H3,(H,27,30)InChIKey
MVCMRWNDBQCTAZ-UHFFFAOYSA-NSynonyms
445035-15-4445035154
CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N
InChI=1SC21H22F2N6OSc110714(16(22)23)2920(2510)2617(2829)18(30)271913(924)126511(21(23)4)815(12)3119h71116H568H214H3(H2730)
MFCD02175594
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidine2carboxamide
ZINC000002768289
ZINC000002768290
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