Vitas-M small molecule compound
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK529753
SMILES CCc1ccc(cc1)OCC(Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C)O
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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 C21H28N4O4S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4S/c1-5-14-6-8-16(9-7-14)29-11-15(26)10-25-17-18(22-21(25)30-12-13(2)3)24(4)20(28)23-19(17)27/h6-9,13,15,26H,5,10-12H2,1-4H3,(H,23,27,28)InChIKey
PNFUDYXNHFKJJP-UHFFFAOYSA-NSynonyms
370077-14-8370077148
7(3(4ethylphenoxy)2hydroxypropyl)3methyl8((2methylpropyl)sulfanyl)37dihydro1Hpurine26dione
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYL8(2METHYLPROPYLSULFANYL)PURINE26DIONE
7(3(4ethylphenoxy)2hydroxypropyl)8(isobutylthio)3methyl1Hpurine26(3H7H)dione
CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCC(C)C)N(C(=O)NC3=O)C)O
CCc1ccc(cc1)OCC(Cn1c(SCC(C)C)nc2c1c(=O)(nH)c(=O)n2C)O
InChI=1SC21H28N4O4Sc15146816(9714)291115(26)10251718(2221(25)301213(2)3)24(4)20(28)2319(17)27h69131526H51012H214H3(H232728)
MFCD00754450
ZINC000002350969
ZINC000008934396
Check stock
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Check stock on Vitas-MAvailable files
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