Vitas-M small molecule compound
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STK644798
SMILES OC(Cn1c(SC(C)C)nc2c1c(O)nc(=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 C18H21ClN4O4S MW 424.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN4O4S/c1-10(2)28-18-20-15-14(16(25)21-17(26)22(15)3)23(18)8-12(24)9-27-13-6-4-11(19)5-7-13/h4-7,10,12,24H,8-9H2,1-3H3,(H,21,25,26)InChIKey
BNGQACMBQLTIFF-UHFFFAOYSA-NSynonyms
331675-35-5331675355
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8PROPAN2YLSULFANYLPURINE26DIONE
7(3(4chlorophenoxy)2hydroxypropyl)6hydroxy3methyl8(propan2ylsulfanyl)37dihydro2Hpurin2one
CC(C)SC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C
InChI=1SC18H21ClN4O4Sc110(2)2818201514(16(25)2117(26)22(15)3)23(18)812(24)927136411(19)5713h47101224H89H213H3(H212526)
MFCD18163729
ZINC000000625914
ZINC000000828781
ZINC00625914
ZINC00828781
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