Vitas-M small molecule compound
8-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL380115
SMILES Clc1ccccc1Cn1c(Sc2nnc([nH]2)N)nc2c1c(=O)n(c(=O)n2C)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 C16H15ClN8O2S MW 418.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN8O2S/c1-23-11-10(12(26)24(2)16(23)27)25(7-8-5-3-4-6-9(8)17)15(19-11)28-14-20-13(18)21-22-14/h3-6H,7H2,1-2H3,(H3,18,20,21,22)InChIKey
BJNPPJUNWZYCPZ-UHFFFAOYSA-NSynonyms
8((5AMINO1H124TRIAZOL3YL)SULFANYL)7((2CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8((5amino4H124triazol3yl)sulfanyl)7(2chlorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((5AMINO4H124TRIAZOL3YL)THIO)7(2CHLOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
Clc1ccccc1Cn1c(Sc2nnc((nH)2)N)nc2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NNC(=N3)N)CC4=CC=CC=C4Cl
InChI=1SC16H15ClN8O2Sc1231110(12(26)24(2)16(23)27)25(7853469(8)17)15(1911)28142013(18)212214h36H7H212H3(H318202122)
MFCD03721208
ZINC000008642840
ZINC04004478
ZINC08642840
ZINC8642840
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