Vitas-M small molecule compound
1-benzyl-3-(4-heptylphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Catalog ID
STK689760
SMILES CCCCCCCc1ccc(cc1)C1=NN(Cc2ccccc2)c2n(C1)c1c(=O)n(C)c(=O)n(c1n2)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 C29H34N6O2 MW 498.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N6O2/c1-4-5-6-7-9-12-21-15-17-23(18-16-21)24-20-34-25-26(32(2)29(37)33(3)27(25)36)30-28(34)35(31-24)19-22-13-10-8-11-14-22/h8,10-11,13-18H,4-7,9,12,19-20H2,1-3H3InChIKey
WZKQGMNRPOVNOY-UHFFFAOYSA-NSynonyms
1benzyl3(4heptylphenyl)79dimethyl14dihydro(124)triazino(34f)purine68(7H9H)dione
1benzyl3(4heptylphenyl)79dimethyl4Hpurino(87c)(124)triazine68dione
CCCCCCCC1=CC=C(C=C1)C2=NN(C3=NC4=C(N3C2)C(=O)N(C(=O)N4C)C)CC5=CC=CC=C5
InChI=1SC29H34N6O2c1456791221151723(181621)2420342526(32(2)29(37)33(3)27(25)36)3028(34)35(3124)192213108111422h810111318H479121920H213H3
MFCD09062817
ZINC000100225033
ZINC100225033
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