Vitas-M small molecule compound
7-[(2Z)-3-chlorobut-2-en-1-yl]-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK005122
SMILES OCCSc1nc2c(n1C/C=C(\Cl)/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 C12H15ClN4O3S MW 330.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15ClN4O3S/c1-7(13)3-4-17-8-9(14-12(17)21-6-5-18)16(2)11(20)15-10(8)19/h3,18H,4-6H2,1-2H3,(H,15,19,20)/b7-3-InChIKey
JMMIEYIRRXKIKV-CLTKARDFSA-NSynonyms
327170-52-5(Z)7(3chlorobut2en1yl)8((2hydroxyethyl)thio)3methyl1Hpurine26(3H7H)dione
327170525
7((2Z)3CHLOROBUT2EN1YL)8((2HYDROXYETHYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7((Z)3CHLOROBUT2ENYL)8(2HYDROXYETHYLSULFANYL)3METHYLPURINE26DIONE
CC(=CCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C)Cl
InChI=1SC12H15ClN4O3Sc17(13)341789(1412(17)216518)16(2)11(20)1510(8)19h318H46H212H3(H151920)b73
MFCD01079288
OCCSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C
STK005122
ZINC000012342746
ZINC12342746
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