Vitas-M small molecule compound
8-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK539187
SMILES Cc1ccc(cc1)Cn1c(N/N=C/2\C(=O)Nc3c2cc(Br)cc3)nc2c1c(=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 C23H20BrN7O3 MW 522.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN7O3/c1-12-4-6-13(7-5-12)11-31-18-19(29(2)23(34)30(3)21(18)33)26-22(31)28-27-17-15-10-14(24)8-9-16(15)25-20(17)32/h4-10H,11H2,1-3H3,(H,26,28)(H,25,27,32)InChIKey
BSKLZHVKZPEMCB-UHFFFAOYSA-NSynonyms
(Z)8(2(5bromo2oxoindolin3ylidene)hydrazinyl)13dimethyl7(4methylbenzyl)1Hpurine26(3H7H)dione
8((2Z)2(5bromo2oxo12dihydro3Hindol3ylidene)hydrazinyl)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
8(2(5BROMO2OXOINDOL3YL)HYDRAZINYL)13DIMETHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2NNC4=C5C=C(C=CC5=NC4=O)Br)N(C(=O)N(C3=O)C)C
Cc1ccc(cc1)Cn1c(NN=C2C(=O)Nc3c2cc(Br)cc3)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC23H20BrN7O3c1124613(7512)11311819(29(2)23(34)30(3)21(18)33)2622(31)282717151014(24)8916(15)2520(17)32h410H11H213H3(H2628)(H252732)
MFCD02236158
ZINC000005360374
ZINC5360374
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