Vitas-M small molecule compound
8-[benzyl(methyl)amino]-6-hydroxy-3-methyl-7-{2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3,7-dihydro-2H-purin-2-one
Catalog ID
STL042409
SMILES CC(Cn1c(nc2c1c(O)nc(=O)n2C)N(Cc1ccccc1)C)CSc1nnnn1c1ccccc1
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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 C25H27N9O2S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N9O2S/c1-17(16-37-25-28-29-30-34(25)19-12-8-5-9-13-19)14-33-20-21(32(3)24(36)27-22(20)35)26-23(33)31(2)15-18-10-6-4-7-11-18/h4-13,17H,14-16H2,1-3H3,(H,27,35,36)InChIKey
JLVNJYFXOCIDLX-UHFFFAOYSA-NSynonyms
713094-06-5713094065
8(BENZYL(METHYL)AMINO)3METHYL7(2METHYL3((1PHENYL1HTETRAZOL5YL)THIO)PROPYL)1HPURINE26(3H7H)DIONE
8(BENZYL(METHYL)AMINO)3METHYL7(2METHYL3(1PHENYLTETRAZOL5YL)SULFANYLPROPYL)PURINE26DIONE
8(benzyl(methyl)amino)6hydroxy3methyl7(2methyl3((1phenyl1Htetrazol5yl)sulfanyl)propyl)37dihydro2Hpurin2one
CC(CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C)CSC4=NN=NN4C5=CC=CC=C5
InChI=1SC25H27N9O2Sc117(16372528293034(25)19128591319)14332021(32(3)24(36)2722(20)35)2623(33)31(2)1518106471118h41317H1416H213H3(H273536)
MFCD05725719
ZINC000001283343
ZINC000009243832
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