Vitas-M small molecule compound
(8E)-7-(3-bromobenzyl)-8-[(2E)-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STK561415
SMILES Brc1cccc(c1)Cn1/c(=N/N=C\2/C(=O)Nc3c2cc(Br)cc3)/[nH]c2c1c(=O)n(c(=O)n2C)C
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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 C22H17Br2N7O3 MW 587.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Br2N7O3/c1-29-18-17(20(33)30(2)22(29)34)31(10-11-4-3-5-12(23)8-11)21(26-18)28-27-16-14-9-13(24)6-7-15(14)25-19(16)32/h3-9H,10H2,1-2H3,(H,26,28)(H,25,27,32)InChIKey
RGZVLPHHUNDDFW-UHFFFAOYSA-NSynonyms
(8E)7(3bromobenzyl)8((2E)(5bromo2oxo12dihydro3Hindol3ylidene)hydrazinylidene)13dimethyl3789tetrahydro1Hpurine26dione
8(2(5BROMO2OXOINDOL3YL)HYDRAZINYL)7((3BROMOPHENYL)METHYL)13DIMETHYLPURINE26DIONE
Brc1cccc(c1)Cn1c(=NN=C2C(=O)Nc3c2cc(Br)cc3)(nH)c2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CC5=CC(=CC=C5)Br
InChI=1SC22H17Br2N7O3c1291817(20(33)30(2)22(29)34)31(101143512(23)811)21(2618)28271614913(24)6715(14)2519(16)32h39H10H212H3(H2628)(H252732)
MFCD04079991
ZINC000005295125
ZINC05295125
ZINC5295125
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