Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL342663
SMILES C/C(=C\Cn1c(N/N=C/c2cccnc2)nc2c1c(=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 C17H18ClN7O2 MW 387.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN7O2/c1-11(18)6-8-25-13-14(23(2)17(27)24(3)15(13)26)21-16(25)22-20-10-12-5-4-7-19-9-12/h4-7,9-10H,8H2,1-3H3,(H,21,22)/b11-6+,20-10+InChIKey
NEVHEHCEXDPUEQ-XMONHYIXSA-NSynonyms
7((2E)3chlorobut2en1yl)13dimethyl8((2E)2(pyridin3ylmethylidene)hydrazinyl)37dihydro1Hpurine26dione
7((E)3chlorobut2en1yl)13dimethyl8((E)2(pyridin3ylmethylene)hydrazinyl)1Hpurine26(3H7H)dione
7((E)3chlorobut2enyl)13dimethyl8((2E)2(pyridin3ylmethylidene)hydrazinyl)purine26dione
CC(=CCn1c(NN=Cc2cccnc2)nc2c1c(=O)n(c(=O)n2C)C)Cl
CC(=CCN1C2=C(N=C1NN=CC3=CN=CC=C3)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC17H18ClN7O2c111(18)68251314(23(2)17(27)24(3)15(13)26)2116(25)2220101254719912h47910H8H213H3(H2122)b116+2010+
MFCD04157583
ZINC000005149026
ZINC33931516
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