Vitas-M small molecule compound
8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK003580
SMILES C/C(=C/CSc1nc2c(n1C(C)C)c(=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 C13H17ClN4O2S MW 328.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17ClN4O2S/c1-7(2)18-9-10(17(4)12(20)16-11(9)19)15-13(18)21-6-5-8(3)14/h5,7H,6H2,1-4H3,(H,16,19,20)/b8-5-InChIKey
KUVWMNIMMITQEP-YVMONPNESA-NSynonyms
1164489-22-8(Z)8((3chlorobut2en1yl)thio)7isopropyl3methyl1Hpurine26(3H7H)dione
1164489228
8(((2Z)3CHLOROBUT2EN1YL)SULFANYL)3METHYL7(PROPAN2YL)37DIHYDRO1HPURINE26DIONE
8((3CHLORO2BUTENYL)SULFANYL)7ISOPROPYL3METHYL37DIHYDRO1HPURINE26DIONE
8((Z)3CHLOROBUT2ENYL)SULFANYL3METHYL7PROPAN2YLPURINE26DIONE
8((Z)3CHLOROBUT2ENYLSULFANYL)7ISOPROPYL3METHYL37DIHYDROPURINE26DIONE
CC(=CCSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C)Cl
CC(C)N1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C
InChI=1SC13H17ClN4O2Sc17(2)18910(17(4)12(20)1611(9)19)1513(18)21658(3)14h57H6H214H3(H161920)b85
MFCD01032104
STK003580
ZINC000000310626
ZINC00310626
ZINC310626
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