Vitas-M small molecule compound

7-[(2E)-but-2-en-1-yl]-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK762040
SMILES CCSc1nc2c(n1C/C=C/C)c(=O)[nH]c(=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 C12H16N4O2S MW 280.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O2S/c1-4-6-7-16-8-9(13-12(16)19-5-2)15(3)11(18)14-10(8)17/h4,6H,5,7H2,1-3H3,(H,14,17,18)/b6-4+
InChIKey
VPZBWXYZGDEHPB-GQCTYLIASA-N
Synonyms
304878-48-6
(E)7(but2en1yl)8(ethylthio)3methyl1Hpurine26(3H7H)dione
304878486
7((2E)BUT2EN1YL)8(ETHYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7((E)BUT2ENYL)8ETHYLSULFANYL3METHYLPURINE26DIONE
CCSC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C
CCSc1nc2c(n1CC=CC)c(=O)(nH)c(=O)n2C
InChI=1SC12H16N4O2Sc14671689(1312(16)1952)15(3)11(18)1410(8)17h46H57H213H3(H141718)b64+
MFCD01553430
ZINC000012373963
ZINC12373963

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Available files

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