Vitas-M small molecule compound
8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-{3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3,7-dihydro-2H-purin-2-one
Catalog ID
STL041942
SMILES CCN1CCN(CC1)c1nc2c(n1CCCSc1nnnn1c1ccccc1)c(O)nc(=O)n2C
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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 C22H28N10O2S MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N10O2S/c1-3-29-11-13-30(14-12-29)20-23-18-17(19(33)24-21(34)28(18)2)31(20)10-7-15-35-22-25-26-27-32(22)16-8-5-4-6-9-16/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,24,33,34)InChIKey
JCFTXAPZPMOPSV-UHFFFAOYSA-NSynonyms
714940-47-3714940473
8(4ETHYLPIPERAZIN1YL)3METHYL7(3(1PHENYLTETRAZOL5YL)SULFANYLPROPYL)PURINE26DIONE
8(4ethylpiperazin1yl)6hydroxy3methyl7(3((1phenyl1Htetrazol5yl)sulfanyl)propyl)37dihydro2Hpurin2one
CCN1CCN(CC1)C2=NC3=C(N2CCCSC4=NN=NN4C5=CC=CC=C5)C(=O)NC(=O)N3C
InChI=1SC22H28N10O2Sc1329111330(141229)20231817(19(33)2421(34)28(18)2)31(20)10715352225262732(22)168546916h4689H371015H212H3(H243334)
MFCD05736177
ZINC000009001553
ZINC9001553
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