Vitas-M small molecule compound
1,3-dimethyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL005584
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nnnn1c1ccccc1)c(n2)N1CCCC1
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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 C20H23N9O2S MW 453.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N9O2S/c1-25-16-15(17(30)26(2)20(25)31)28(18(21-16)27-10-6-7-11-27)12-13-32-19-22-23-24-29(19)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3InChIKey
PVROMKADMRGWJM-UHFFFAOYSA-NSynonyms
685860-67-713dimethyl7(2((1phenyl1Htetrazol5yl)sulfanyl)ethyl)8(pyrrolidin1yl)37dihydro1Hpurine26dione
13DIMETHYL7(2((1PHENYL1HTETRAZOL5YL)THIO)ETHYL)8(PYRROLIDIN1YL)1HPURINE26(3H7H)DIONE
13DIMETHYL7(2(1PHENYLTETRAZOL5YL)SULFANYLETHYL)8PYRROLIDIN1YLPURINE26DIONE
685860677
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CCSC4=NN=NN4C5=CC=CC=C5
InChI=1SC20H23N9O2Sc1251615(17(30)26(2)20(25)31)28(18(2116)2710671127)1213321922232429(19)148435914h3589H671013H212H3
MFCD04167540
ZINC000009156808
ZINC09156808
ZINC9156808
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