Vitas-M small molecule compound

7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK088828
SMILES C/C(=C/Cn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)/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 C18H19ClN4O2S MW 390.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN4O2S/c1-12(19)8-10-23-14-15(22(2)17(25)21-16(14)24)20-18(23)26-11-9-13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3,(H,21,24,25)/b12-8-
InChIKey
JTRIZPKMIMTFEH-WQLSENKSSA-N
Synonyms
370076-83-8
(Z)7(3chlorobut2en1yl)3methyl8(phenethylthio)1Hpurine26(3H7H)dione
370076838
7((2Z)3CHLOROBUT2EN1YL)3METHYL8((2PHENYLETHYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7((Z)3chlorobut2enyl)3methyl8(2phenylethylsulfanyl)purine26dione
7((Z)3CHLOROBUT2ENYL)3METHYL8PHENETHYLSULFANYLPURINE26DIONE
7(3CHLORO2BUTENYL)3METHYL8((2PHENYLETHYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
CC(=CCn1c(SCCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C)Cl
CC(=CCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C)Cl
InChI=1SC18H19ClN4O2Sc112(19)810231415(22(2)17(25)2116(14)24)2018(23)26119136435713h38H911H212H3(H212425)b128
MFCD01032117
STK088828
ZINC000000727706
ZINC00727706
ZINC727706

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Available files

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