Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK529890
SMILES C/C=C/Cn1c(SCC(CCl)O)nc2c1c(=O)[nH]c(=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 C13H17ClN4O3S MW 344.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17ClN4O3S/c1-3-4-5-18-9-10(17(2)12(21)16-11(9)20)15-13(18)22-7-8(19)6-14/h3-4,8,19H,5-7H2,1-2H3,(H,16,20,21)/b4-3+InChIKey
IJHFZNPXBKXENX-ONEGZZNKSA-NSynonyms
317844-13-6(E)7(but2en1yl)8((3chloro2hydroxypropyl)thio)3methyl1Hpurine26(3H7H)dione
317844136
7((2E)but2en1yl)8((3chloro2hydroxypropyl)sulfanyl)3methyl37dihydro1Hpurine26dione
7((2E)BUT2ENYL)8(3CHLORO2HYDROXYPROPYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)8(3CHLORO2HYDROXYPROPYL)SULFANYL3METHYLPURINE26DIONE
CC=CCn1c(SCC(CCl)O)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C
InChI=1SC13H17ClN4O3Sc134518910(17(2)12(21)1611(9)20)1513(18)2278(19)614h34819H57H212H3(H162021)b43+
MFCD01556504
ZINC000013633402
ZINC000013633405
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