Vitas-M small molecule compound

3-methyl-8-[(3-phenylpropyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL297554
SMILES C=CCn1c(SCCCc2ccccc2)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 C18H20N4O2S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)
InChIKey
BYDCIBXURIFARK-UHFFFAOYSA-N
Synonyms
313470-39-2
313470392
3methyl8((3phenylpropyl)sulfanyl)7(prop2en1yl)37dihydro1Hpurine26dione
3METHYL8(3PHENYLPROPYLSULFANYL)7PROP2ENYLPURINE26DIONE
3METHYL8(3PHENYLPROPYLTHIO)7PROP2ENYL137TRIHYDROPURINE26DIONE
3METHYL8(3PHENYLPROPYLTHIO)7PROP2ENYLPURINE26DIONE
7ALLYL3METHYL8((3PHENYLPROPYL)THIO)1HPURINE26(3H7H)DIONE
7ALLYL3METHYL8(3PHENYLPROPYLTHIO)XANTHINE
C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CC=C
InChI=1SC18H20N4O2Sc1311221415(21(2)17(24)2016(14)23)1918(22)2512710138546913h3689H171012H22H3(H202324)
MFCD01051780
ZINC000012647926
ZINC12647926

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Available files

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