Vitas-M small molecule compound

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

Catalog ID
STK063652
SMILES CC(CSc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=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 C13H17ClN4O3S MW 344.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17ClN4O3S/c1-7(14)4-5-18-9-10(15-13(18)22-6-8(2)19)17(3)12(21)16-11(9)20/h4,8,19H,5-6H2,1-3H3,(H,16,20,21)/b7-4-
InChIKey
ORNTXSUIPFLHRO-DAXSKMNVSA-N
Synonyms
331726-15-9
(Z)7(3chlorobut2en1yl)8((2hydroxypropyl)thio)3methyl1Hpurine26(3H7H)dione
331726159
7((2Z)3CHLOROBUT2EN1YL)6HYDROXY8((2HYDROXYPROPYL)SULFANYL)3METHYL37DIHYDRO2HPURIN2ONE
7((2Z)3CHLOROBUT2EN1YL)8((2HYDROXYPROPYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7((2Z)3CHLOROBUT2ENYL)8(2HYDROXYPROPYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7((Z)3CHLOROBUT2ENYL)8(2HYDROXYPROPYLSULFANYL)3METHYLPURINE26DIONE
7(3CHLORO2BUTENYL)8((2HYDROXYPROPYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
CC(CSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C)O
CC(CSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C)O
InChI=1SC13H17ClN4O3Sc17(14)4518910(1513(18)2268(2)19)17(3)12(21)1611(9)20h4819H56H213H3(H162021)b74
MFCD01079289
STK063652
ZINC000000315543

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Available files

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