Vitas-M small molecule compound
7-(3-bromobenzyl)-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK527851
SMILES Brc1cccc(c1)Cn1c(N/N=C\2/C(=O)Nc3c2cccc3)nc2c1c(=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 C21H16BrN7O3 MW 494.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN7O3/c1-28-17-16(19(31)25-21(28)32)29(10-11-5-4-6-12(22)9-11)20(24-17)27-26-15-13-7-2-3-8-14(13)23-18(15)30/h2-9H,10H2,1H3,(H,24,27)(H,23,26,30)(H,25,31,32)InChIKey
BONJCOQOBWISEQ-UHFFFAOYSA-NSynonyms
(E)7(3bromobenzyl)3methyl8(2(2oxoindolin3ylidene)hydrazinyl)1Hpurine26(3H7H)dione
7((3BROMOPHENYL)METHYL)3METHYL8(2(2OXOINDOL3YL)HYDRAZINYL)PURINE26DIONE
7(3bromobenzyl)3methyl8((2E)2(2oxo12dihydro3Hindol3ylidene)hydrazinyl)37dihydro1Hpurine26dione
Brc1cccc(c1)Cn1c(NN=C2C(=O)Nc3c2cccc3)nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC5=CC(=CC=C5)Br
InChI=1SC21H16BrN7O3c1281716(19(31)2521(28)32)29(101154612(22)911)20(2417)27261513723814(13)2318(15)30h29H10H21H3(H2427)(H232630)(H253132)
MFCD01555603
ZINC000005295032
ZINC05295032
ZINC5295032
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