Vitas-M small molecule compound
(8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-8-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL042383
SMILES C/C(=C\Cn1/c(=N/N=C/c2ccccc2O)/[nH]c2c1c(=O)n(c(=O)n2C)C)/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 C18H19ClN6O3 MW 402.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN6O3/c1-11(19)8-9-25-14-15(23(2)18(28)24(3)16(14)27)21-17(25)22-20-10-12-6-4-5-7-13(12)26/h4-8,10,26H,9H2,1-3H3,(H,21,22)/b11-8+,20-10+InChIKey
XPWCVNPKXNPAAT-XNXZNTANSA-NSynonyms
(8E)7((2E)3chlorobut2en1yl)8((2E)(2hydroxybenzylidene)hydrazinylidene)13dimethyl3789tetrahydro1Hpurine26dione
CC(=CCn1c(=NN=Cc2ccccc2O)(nH)c2c1c(=O)n(c(=O)n2C)C)Cl
MFCD05728519
ZINC000005248677
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