Vitas-M small molecule compound

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

Catalog ID
STK020211
SMILES CCCCCCCn1c(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 C22H30N4O2S MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O2S/c1-3-4-5-6-10-15-26-18-19(25(2)21(28)24-20(18)27)23-22(26)29-16-11-14-17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3,(H,24,27,28)
InChIKey
GDNFALKDUOUBJT-UHFFFAOYSA-N
Synonyms
303969-04-2
303969042
7HEPTYL3METHYL8((3PHENYLPROPYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7heptyl3methyl8((3phenylpropyl)thio)1Hpurine26(3H7H)dione
7HEPTYL3METHYL8(3PHENYLPROPYLSULFANYL)37DIHYDROPURINE26DIONE
7HEPTYL3METHYL8(3PHENYLPROPYLSULFANYL)PURINE26DIONE
7HEPTYL6HYDROXY3METHYL8((3PHENYLPROPYL)SULFANYL)37DIHYDRO2HPURIN2ONE
CCCCCCCn1c(SCCCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC22H30N4O2Sc134561015261819(25(2)21(28)2420(18)27)2322(26)2916111417128791317h791213H3610111416H212H3(H242728)
MFCD01185928
STK020211
ZINC2306205

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Available files

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