Vitas-M small molecule compound

8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-hydroxy-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STK643452
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1c(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 C17H15ClN4O3S MW 390.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN4O3S/c1-3-8-22-13-14(21(2)16(25)20-15(13)24)19-17(22)26-9-12(23)10-4-6-11(18)7-5-10/h3-7H,1,8-9H2,2H3,(H,20,24,25)
InChIKey
NVNSTVRCLXEAND-UHFFFAOYSA-N
Synonyms
330180-38-6
330180386
8((2(4chlorophenyl)2oxoethyl)sulfanyl)6hydroxy3methyl7(prop2en1yl)37dihydro2Hpurin2one
8(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL3METHYL7PROP2ENYLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)CC=C
InChI=1SC17H15ClN4O3Sc138221314(21(2)16(25)2015(13)24)1917(22)26912(23)104611(18)7510h37H189H22H3(H202425)
MFCD18163315
ZINC000013739508
ZINC13739508

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Available files

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