Vitas-M small molecule compound

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK833933
SMILES OC(Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

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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 C19H23ClN4O4S MW 438.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN4O4S/c1-11(2)10-29-19-21-16-15(17(26)22-18(27)23(16)3)24(19)8-13(25)9-28-14-6-4-12(20)5-7-14/h4-7,11,13,25H,8-10H2,1-3H3,(H,22,26,27)
InChIKey
PHWYAVNMEXMKCF-UHFFFAOYSA-N
Synonyms
331675-55-9
331675559
7(3(4chlorophenoxy)2hydroxypropyl)3methyl8((2methylpropyl)sulfanyl)37dihydro1Hpurine26dione
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8(2METHYLPROPYLSULFANYL)PURINE26DIONE
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8(2METHYLPROPYLTHIO)137TRIHYDROPURINE26DIONE
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)8(ISOBUTYLTHIO)3METHYL1HPURINE26(3H7H)DIONE
CC(C)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C
InChI=1SC19H23ClN4O4Sc111(2)102919211615(17(26)2218(27)23(16)3)24(19)813(25)928146412(20)5714h47111325H810H213H3(H222627)
MFCD00809898
OC(Cn1c(SCC(C)C)nc2c1c(=O)(nH)c(=O)n2C)COc1ccc(cc1)Cl
ZINC000000727074
ZINC000000727075

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Available files

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