Vitas-M small molecule compound

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

Catalog ID
STK062721
SMILES O=c1[nH]c(=O)c2c(n1C)nc(n2CCc1ccccc1)SCCCc1ccccc1

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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 C23H24N4O2S MW 420.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S/c1-26-20-19(21(28)25-22(26)29)27(15-14-18-11-6-3-7-12-18)23(24-20)30-16-8-13-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,25,28,29)
InChIKey
KNBSVZSRHFOTRU-UHFFFAOYSA-N
Synonyms
332149-64-1
332149641
3METHYL7(2PHENYLETHYL)8((3PHENYLPROPYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
3methyl7(2phenylethyl)8(3phenylpropylsulfanyl)purine26dione
3METHYL7(2PHENYLETHYL)8(3PHENYLPROPYLTHIO)137TRIHYDROPURINE26DIONE
3methyl7phenethyl8((3phenylpropyl)thio)1Hpurine26(3H7H)dione
3METHYL7PHENETHYL8(3PHENYLPROPYLSULFANYL)37DIHYDROPURINE26DIONE
3METHYL7PHENETHYL8(3PHENYLPROPYLSULFANYL)PURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CCC4=CC=CC=C4
InChI=1SC23H24N4O2Sc1262019(21(28)2522(26)29)27(151418116371218)23(2420)30168131794251017h27912H81316H21H3(H252829)
MFCD01142761
O=c1(nH)c(=O)c2c(n1C)nc(n2CCc1ccccc1)SCCCc1ccccc1
STK062721
ZINC000002346554
ZINC02346554
ZINC2346554

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.