Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK700827
SMILES C/C=C/Cn1c(SC/C=C(\Cl)/C)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 C14H17ClN4O2S MW 340.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17ClN4O2S/c1-4-5-7-19-10-11(18(3)13(21)17-12(10)20)16-14(19)22-8-6-9(2)15/h4-6H,7-8H2,1-3H3,(H,17,20,21)/b5-4+,9-6-InChIKey
DOHTZTOHWLANDN-WEHQGULRSA-NSynonyms
296244-45-6296244456
7((2E)but2en1yl)8(((2Z)3chlorobut2en1yl)sulfanyl)3methyl37dihydro1Hpurine26dione
7((E)but2en1yl)8(((Z)3chlorobut2en1yl)thio)3methyl1Hpurine26(3H7H)dione
7((E)BUT2ENYL)8((Z)3CHLOROBUT2ENYL)SULFANYL3METHYLPURINE26DIONE
CC=CCn1c(SCC=C(Cl)C)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C
InChI=1SC14H17ClN4O2Sc1457191011(18(3)13(21)1712(10)20)1614(19)22869(2)15h46H78H213H3(H172021)b54+96
MFCD01554912
ZINC000012362779
ZINC12362779
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