Vitas-M small molecule compound
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-6-hydroxy-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK643374
SMILES CCc1ccc(cc1)OCC(Cn1c(SCC(O)C)nc2c1c(O)nc(=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 C20H26N4O5S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O5S/c1-4-13-5-7-15(8-6-13)29-10-14(26)9-24-16-17(21-20(24)30-11-12(2)25)23(3)19(28)22-18(16)27/h5-8,12,14,25-26H,4,9-11H2,1-3H3,(H,22,27,28)InChIKey
CGKSMTXQAXNVHM-UHFFFAOYSA-NSynonyms
370075-26-6370075266
7(3(4ethylphenoxy)2hydroxypropyl)6hydroxy8((2hydroxypropyl)sulfanyl)3methyl37dihydro2Hpurin2one
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)8((2HYDROXYPROPYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)8(2HYDROXYPROPYLSULFANYL)3METHYLPURINE26DIONE
CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCC(C)O)N(C(=O)NC3=O)C)O
InChI=1SC20H26N4O5Sc14135715(8613)291014(26)9241617(2120(24)301112(2)25)23(3)19(28)2218(16)27h5812142526H4911H213H3(H222728)
MFCD18163282
ZINC000008934274
ZINC000008934463
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