Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL005911
SMILES C/C(=C\Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C)/Cl
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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 C11H13ClN4O2S MW 300.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13ClN4O2S/c1-6(12)4-5-16-7-8(13-10(16)19)14(2)11(18)15(3)9(7)17/h4H,5H2,1-3H3,(H,13,19)/b6-4+InChIKey
BAZDEQCAAQRNLM-GQCTYLIASA-NSynonyms
(E)7(3chlorobut2en1yl)8mercapto13dimethyl1Hpurine26(3H7H)dione
7((2E)3chlorobut2en1yl)13dimethyl8sulfanyl37dihydro1Hpurine26dione
7((E)3CHLOROBUT2ENYL)13DIMETHYL8SULFANYLIDENE9HPURINE26DIONE
CC(=CCn1c(S)nc2c1c(=O)n(C)c(=O)n2C)Cl
CC(=CCN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC11H13ClN4O2Sc16(12)451678(1310(16)19)14(2)11(18)15(3)9(7)17h4H5H213H3(H1319)b64+
MFCD03933713
ZINC000005177281
ZINC05177281
ZINC5177281
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