Vitas-M small molecule compound
7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK021848
SMILES COc1ccc(cc1)/C=N/Nc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=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 C23H23BrN6O5 MW 543.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN6O5/c1-29-20-19(21(32)27-23(29)33)30(12-16(31)13-35-18-9-5-15(24)6-10-18)22(26-20)28-25-11-14-3-7-17(34-2)8-4-14/h3-11,16,31H,12-13H2,1-2H3,(H,26,28)(H,27,32,33)/b25-11+InChIKey
QTCDTTVKLTWWCB-OPEKNORGSA-NSynonyms
303970-97-0(E)7(3(4bromophenoxy)2hydroxypropyl)8(2(4methoxybenzylidene)hydrazinyl)3methyl1Hpurine26(3H7H)dione
303970970
7(3(4bromophenoxy)2hydroxypropyl)8((2E)2((4methoxyphenyl)methylidene)hydrazinyl)3methylpurine26dione
7(3(4BROMOPHENOXY)2HYDROXYPROPYL)8((2E)2(4METHOXYBENZYLIDENE)HYDRAZINYL)3METHYL37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)OC)CC(COC4=CC=C(C=C4)Br)O
COc1ccc(cc1)C=NNc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)(nH)c(=O)n2C
InChI=1SC23H23BrN6O5c1292019(21(32)2723(29)33)30(1216(31)1335189515(24)61018)22(2620)282511143717(342)8414h3111631H1213H212H3(H2628)(H273233)b2511+
MFCD01142836
STK021848
ZINC000100680406
ZINC000100680409
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