Vitas-M small molecule compound

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STK640867
SMILES C=CCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(O)nc(=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 C18H19ClN4O4S MW 422.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN4O4S/c1-3-8-28-18-20-15-14(16(25)21-17(26)22(15)2)23(18)9-12(24)10-27-13-6-4-11(19)5-7-13/h3-7,12,24H,1,8-10H2,2H3,(H,21,25,26)
InChIKey
DEYLBPSZCHJYIX-UHFFFAOYSA-N
Synonyms
326919-05-5
326919055
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8PROP2ENYLSULFANYLPURINE26DIONE
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8PROP2ENYLTHIO137TRIHYDROPURINE26DIONE
7(3(4chlorophenoxy)2hydroxypropyl)6hydroxy3methyl8(prop2en1ylsulfanyl)37dihydro2Hpurin2one
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CC(COC3=CC=C(C=C3)Cl)O
InChI=1SC18H19ClN4O4Sc1382818201514(16(25)2117(26)22(15)2)23(18)912(24)1027136411(19)5713h371224H1810H22H3(H212526)
MFCD18162477
ZINC000003877960
ZINC000003877961

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Available files

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