Vitas-M small molecule compound
7-[(2Z)-3-chlorobut-2-en-1-yl]-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK042131
SMILES ClCC(CSc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=O)n2C)O
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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 C13H16Cl2N4O3S MW 379.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16Cl2N4O3S/c1-7(15)3-4-19-9-10(18(2)12(22)17-11(9)21)16-13(19)23-6-8(20)5-14/h3,8,20H,4-6H2,1-2H3,(H,17,21,22)/b7-3-InChIKey
JXWVPZKQEXVOBY-CLTKARDFSA-NSynonyms
331751-72-5(Z)8((3chloro2hydroxypropyl)thio)7(3chlorobut2en1yl)3methyl1Hpurine26(3H7H)dione
331751725
7((2Z)3CHLOROBUT2EN1YL)8((3CHLORO2HYDROXYPROPYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7((2Z)3CHLOROBUT2ENYL)8(3CHLORO2HYDROXYPROPYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7((Z)3CHLOROBUT2ENYL)8(3CHLORO2HYDROXYPROPYL)SULFANYL3METHYLPURINE26DIONE
7(3CHLORO2BUTENYL)8((3CHLORO2HYDROXYPROPYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
CC(=CCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C)Cl
ClCC(CSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C)O
InChI=1SC13H16Cl2N4O3Sc17(15)3419910(18(2)12(22)1711(9)21)1613(19)2368(20)514h3820H46H212H3(H172122)b73
MFCD01032052
STK042131
ZINC000000662928
ZINC000000662932
Check stock
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Check stock on Vitas-MAvailable files
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