Vitas-M small molecule compound
8-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK555998
SMILES Cc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)OCc2ccccc2)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 C29H28N6O3 MW 508.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N6O3/c1-20-9-11-22(12-10-20)18-35-25-26(33(2)29(37)34(3)27(25)36)31-28(35)32-30-17-21-13-15-24(16-14-21)38-19-23-7-5-4-6-8-23/h4-17H,18-19H2,1-3H3,(H,31,32)/b30-17+InChIKey
ZNCLMOMYPQNVEJ-OCSSWDANSA-NSynonyms
536718-59-9(E)8(2(4(benzyloxy)benzylidene)hydrazinyl)13dimethyl7(4methylbenzyl)1Hpurine26(3H7H)dione
13dimethyl7((4methylphenyl)methyl)8((2E)2((4phenylmethoxyphenyl)methylidene)hydrazinyl)purine26dione
536718599
8((2E)2(4(benzyloxy)benzylidene)hydrazinyl)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
CC1=CC=C(C=C1)CN2C3=C(N=C2NN=CC4=CC=C(C=C4)OCC5=CC=CC=C5)N(C(=O)N(C3=O)C)C
Cc1ccc(cc1)Cn1c(NN=Cc2ccc(cc2)OCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC29H28N6O3c12091122(121020)18352526(33(2)29(37)34(3)27(25)36)3128(35)32301721131524(161421)3819237546823h417H1819H213H3(H3132)b3017+
MFCD03417448
ZINC000005356424
ZINC33716639
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