Vitas-M small molecule compound
1,3-dimethyl-8-[(3-phenylpropyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK535075
SMILES C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
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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 C19H22N4O2S MW 370.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O2S/c1-4-12-23-15-16(21(2)19(25)22(3)17(15)24)20-18(23)26-13-8-11-14-9-6-5-7-10-14/h4-7,9-10H,1,8,11-13H2,2-3H3InChIKey
ZJLHSNGMGVUWJI-UHFFFAOYSA-NSynonyms
13dimethyl8((3phenylpropyl)sulfanyl)7(prop2en1yl)37dihydro1Hpurine26dione
13DIMETHYL8(3PHENYLPROPYLSULFANYL)7PROP2ENYLPURINE26DIONE
7allyl13dimethyl8((3phenylpropyl)thio)1Hpurine26(3H7H)dione
7ALLYL13DIMETHYL8(3PHENYLPROPYLSULFANYL)37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCC3=CC=CC=C3)CC=C
InChI=1SC19H22N4O2Sc1412231516(21(2)19(25)22(3)17(15)24)2018(23)26138111496571014h47910H181113H223H3
MFCD02227440
ZINC000013400753
ZINC13400753
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