Vitas-M small molecule compound
1-cyclohexyl-3-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)urea
Catalog ID
STK243548
SMILES O=C(Nc1ccc(cc1)c1[nH]nc(n1)Nc1nc(C)cc(n1)C)NC1CCCCC1
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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 C21H26N8O MW 406.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N8O/c1-13-12-14(2)23-19(22-13)27-20-26-18(28-29-20)15-8-10-17(11-9-15)25-21(30)24-16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H2,24,25,30)(H2,22,23,26,27,28,29)InChIKey
MRPKZULWJNIFIO-UHFFFAOYSA-NSynonyms
1cyclohexyl3(4(3((46dimethylpyrimidin2yl)amino)1H124triazol5yl)phenyl)urea
CC1=CC(=NC(=N1)NC2=NNC(=N2)C3=CC=C(C=C3)NC(=O)NC4CCCCC4)C
InChI=1SC21H26N8Oc1131214(2)2319(2213)27202618(282920)1581017(11915)2521(30)24166435716h81216H37H212H3(H2242530)(H2222326272829)
MFCD07181636
N(4(3((46DIMETHYLPYRIMIDIN2YL)AMINO)(1H124TRIAZOL5YL))PHENYL)(CYCLOHEXYLAMINO)CARBOXAMIDE
O=C(Nc1ccc(cc1)c1(nH)nc(n1)Nc1nc(C)cc(n1)C)NC1CCCCC1
ZINC000008560179
ZINC08560179
ZINC8560179
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