Vitas-M small molecule compound
8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-(4-tert-butylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK678756
SMILES Nc1nc(CSc2nc3c(n2Cc2ccc(cc2)C(C)(C)C)c(=O)n(c(=O)n3C)C)nc(n1)N1CCOCC1
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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 C26H33N9O3S MW 551.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N9O3S/c1-26(2,3)17-8-6-16(7-9-17)14-35-19-20(32(4)25(37)33(5)21(19)36)30-24(35)39-15-18-28-22(27)31-23(29-18)34-10-12-38-13-11-34/h6-9H,10-15H2,1-5H3,(H2,27,28,29,31)InChIKey
GUZAPFQMHYGNPB-UHFFFAOYSA-NSynonyms
8(((4amino6(morpholin4yl)135triazin2yl)methyl)sulfanyl)7(4tertbutylbenzyl)13dimethyl37dihydro1Hpurine26dione
8((4AMINO6MORPHOLIN4YL(135TRIAZIN2YL))METHYLTHIO)7((4(TERTBUTYL)PHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
8((4AMINO6MORPHOLIN4YL135TRIAZIN2YL)METHYLSULFANYL)7((4TERTBUTYLPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2SCC4=NC(=NC(=N4)N)N5CCOCC5)N(C(=O)N(C3=O)C)C
InChI=1SC26H33N9O3Sc126(23)178616(7917)14351920(32(4)25(37)33(5)21(19)36)3024(35)3915182822(27)3123(2918)34101238131134h69H1015H215H3(H227282931)
MFCD03134001
ZINC000029749378
ZINC29749378
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