Vitas-M small molecule compound

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

Catalog ID
STK834120
SMILES CC(Sc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=O)n2C)C

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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)21-13-15-10-9(18(13)6-5-8(3)14)11(19)16-12(20)17(10)4/h5,7H,6H2,1-4H3,(H,16,19,20)/b8-5-
InChIKey
ONEBECCDGXKVCI-YVMONPNESA-N
Synonyms
1164492-73-2
(Z)7(3chlorobut2en1yl)8(isopropylthio)3methyl1Hpurine26(3H7H)dione
1164492732
7((2Z)3chlorobut2en1yl)3methyl8(propan2ylsulfanyl)37dihydro1Hpurine26dione
7((Z)3CHLOROBUT2ENYL)3METHYL8PROPAN2YLSULFANYLPURINE26DIONE
7((Z)3CHLOROBUT2ENYL)8ISOPROPYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
7(3CHLORO2BUTENYL)8(ISOPROPYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
CC(C)SC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C
CC(Sc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C)C
InChI=1SC13H17ClN4O2Sc17(2)211315109(18(13)658(3)14)11(19)1612(20)17(10)4h57H6H214H3(H161920)b85
MFCD01079275
ZINC000000315524
ZINC00315524
ZINC315524

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Available files

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