Vitas-M small molecule compound
N-(2-bromo-4-methylphenyl)-4-(morpholin-4-yl)-6-{(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazin-2-amine
Catalog ID
STK371785
SMILES Cc1ccc(c(c1)Br)Nc1nc(N/N=C/c2cc3OCOc3cc2[N+](=O)[O-])nc(n1)N1CCOCC1
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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 C22H21BrN8O5 MW 557.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN8O5/c1-13-2-3-16(15(23)8-13)25-20-26-21(28-22(27-20)30-4-6-34-7-5-30)29-24-11-14-9-18-19(36-12-35-18)10-17(14)31(32)33/h2-3,8-11H,4-7,12H2,1H3,(H2,25,26,27,28,29)/b24-11+InChIKey
REIYOIGNBGTCLI-BHGWPJFGSA-NSynonyms
4N(2bromo4methylphenyl)6morpholin4yl2N((E)(6nitro13benzodioxol5yl)methylideneamino)135triazine24diamine
CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)NN=CC4=CC5=C(C=C4(N+)(=O)(O))OCO5)Br
Cc1ccc(c(c1)Br)Nc1nc(NN=Cc2cc3OCOc3cc2(N+)(=O)(O))nc(n1)N1CCOCC1
InChI=1SC22H21BrN8O5c1132316(15(23)813)25202621(2822(2720)3046347530)2924111491819(36123518)1017(14)31(32)33h23811H4712H21H3(H22526272829)b2411+
MFCD00291273
N(2bromo4methylphenyl)4(morpholin4yl)6((2E)2((6nitro13benzodioxol5yl)methylidene)hydrazinyl)135triazin2amine
ZINC000004043491
ZINC102111919
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