Vitas-M small molecule compound
8-[(2E)-2-(1-benzyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL333574
SMILES C/C(=C/Cn1c(N/N=C/2\c3ccccc3N(C2=O)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)/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 C25H22ClN7O3 MW 503.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN7O3/c1-15(26)12-13-32-20-21(31(2)25(36)28-22(20)34)27-24(32)30-29-19-17-10-6-7-11-18(17)33(23(19)35)14-16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3,(H,27,30)(H,28,34,36)/b15-12-,29-19+InChIKey
NNIAHRNRAYACFC-VYAYFANOSA-NSynonyms
8((2E)2(1benzyl2oxo12dihydro3Hindol3ylidene)hydrazinyl)7((2Z)3chlorobut2en1yl)3methyl37dihydro1Hpurine26dione
8((2E)2(1benzyl2oxoindol3ylidene)hydrazinyl)7((Z)3chlorobut2enyl)3methylpurine26dione
8((E)2(1benzyl2oxoindolin3ylidene)hydrazinyl)7((Z)3chlorobut2en1yl)3methyl1Hpurine26(3H7H)dione
CC(=CCn1c(NN=C2c3ccccc3N(C2=O)Cc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C)Cl
CC(=CCN1C2=C(N=C1NN=C3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)N(C(=O)NC2=O)C)Cl
InChI=1SC25H22ClN7O3c115(26)1213322021(31(2)25(36)2822(20)34)2724(32)3029191710671118(17)33(23(19)35)14168435916h312H1314H212H3(H2730)(H283436)b15122919+
MFCD01553927
ZINC000009019929
ZINC103769498
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