Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK527088
SMILES C/C=C/Cn1c(SC(C)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 C13H18N4O2S MW 294.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O2S/c1-5-6-7-17-9-10(14-13(17)20-8(2)3)16(4)12(19)15-11(9)18/h5-6,8H,7H2,1-4H3,(H,15,18,19)/b6-5+InChIKey
VOMHHUQCZKTXCN-AATRIKPKSA-NSynonyms
306733-04-0(E)7(but2en1yl)8(isopropylthio)3methyl1Hpurine26(3H7H)dione
306733040
7((2E)but2en1yl)3methyl8(propan2ylsulfanyl)37dihydro1Hpurine26dione
7((E)BUT2ENYL)3METHYL8PROPAN2YLSULFANYLPURINE26DIONE
7(2BUTENYL)8(ISOPROPYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7BUT2ENYL8ISOPROPYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CC=CCn1c(SC(C)C)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C
InChI=1SC13H18N4O2Sc156717910(1413(17)208(2)3)16(4)12(19)1511(9)18h568H7H214H3(H151819)b65+
MFCD01554945
ZINC000013513041
ZINC13513041
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