Vitas-M small molecule compound
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-imidazol-4-yl)ethyl]amino}methylidene]acetamide
Catalog ID
STK207089
SMILES O=C(/N=C(/Nc1nc(C)cc(n1)C)\NCCc1c[nH]cn1)CSc1nc2c(o1)cccc2
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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 C21H22N8O2S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N8O2S/c1-13-9-14(2)26-20(25-13)29-19(23-8-7-15-10-22-12-24-15)28-18(30)11-32-21-27-16-5-3-4-6-17(16)31-21/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,24)(H2,23,25,26,28,29,30)InChIKey
VBBQPKHTPHDSFJ-UHFFFAOYSA-NSynonyms
(3E)1BENZOXAZOL2YLTHIO4((46DIMETHYLPYRIMIDIN2YL)AMINO)4((2IMIDAZOL4YLETHYL)AMINO)3AZABUT3EN2ONE
2(13benzoxazol2ylsulfanyl)N((E)((46dimethylpyrimidin2yl)amino)((2(1Himidazol4yl)ethyl)amino)methylidene)acetamide
2(13benzoxazol2ylsulfanyl)N(N(46dimethylpyrimidin2yl)N(2(1Himidazol5yl)ethyl)carbamimidoyl)acetamide
CC1=CC(=NC(=N1)NC(=NCCC2=CN=CN2)NC(=O)CSC3=NC4=CC=CC=C4O3)C
InChI=1SC21H22N8O2Sc113914(2)2620(2513)2919(2387151022122415)2818(30)1132212716534617(16)3121h3691012H7811H212H3(H2224)(H2232526282930)
MFCD06754468
O=C(N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)cn1)CSc1nc2c(o1)cccc2
ZINC000020353297
ZINC20353297
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