Vitas-M small molecule compound
N-(3-cyano-6-methyl-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
STK960682
SMILES N#Cc1c(NC(=O)c2nn3c(n2)nc(cc3C(F)F)C)sc2c1CCC(C2)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 C18H16F2N6OS MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F2N6OS/c1-8-3-4-10-11(7-21)17(28-13(10)5-8)24-16(27)15-23-18-22-9(2)6-12(14(19)20)26(18)25-15/h6,8,14H,3-5H2,1-2H3,(H,24,27)InChIKey
HRUFOKUREVQWJG-UHFFFAOYSA-NSynonyms
445035-23-4445035234
CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN4C(=CC(=NC4=N3)C)C(F)F
InChI=1SC18H16F2N6OSc18341011(721)17(2813(10)58)2416(27)152318229(2)612(14(19)20)26(18)2515h6814H35H212H3(H2427)
MFCD02175660
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidine2carboxamide
ZINC000000815232
ZINC000000815233
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