Vitas-M small molecule compound
7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL336977
SMILES Cn1c(=O)[nH]c(=O)c2c1nc(n2CCSc1nc2c([nH]1)cccc2)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 C19H21N7O2S MW 411.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N7O2S/c1-24-15-14(16(27)23-19(24)28)26(18(22-15)25-8-4-5-9-25)10-11-29-17-20-12-6-2-3-7-13(12)21-17/h2-3,6-7H,4-5,8-11H2,1H3,(H,20,21)(H,23,27,28)InChIKey
ASUFXZUHIHGTAO-UHFFFAOYSA-NSynonyms
796879-64-67(2((1HBENZO(D)IMIDAZOL2YL)THIO)ETHYL)3METHYL8(PYRROLIDIN1YL)1HPURINE26(3H7H)DIONE
7(2(1Hbenzimidazol2ylsulfanyl)ethyl)3methyl8(pyrrolidin1yl)37dihydro1Hpurine26dione
7(2(1HBENZIMIDAZOL2YLSULFANYL)ETHYL)3METHYL8PYRROLIDIN1YLPURINE26DIONE
7(2(1HBENZOIMIDAZOL2YLSULFANYL)ETHYL)3METHYL8PYRROLIDIN1YL37DIHYDROPURINE26DIONE
7(2BENZIMIDAZOL2YLTHIOETHYL)3METHYL8PYRROLIDINYL137TRIHYDROPURINE26DIONE
796879646
Cn1c(=O)(nH)c(=O)c2c1nc(n2CCSc1nc2c((nH)1)cccc2)N1CCCC1
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCSC4=NC5=CC=CC=C5N4
InChI=1SC19H21N7O2Sc1241514(16(27)2319(24)28)26(18(2215)25845925)101129172012623713(12)2117h2367H45811H21H3(H2021)(H232728)
MFCD03669981
ZINC000000796603
ZINC00796603
ZINC796603
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.