Vitas-M small molecule compound
8-[(1E)-3-(1-acetyl-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)triaz-1-en-1-yl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Catalog ID
STL447382
SMILES O=C1CC(C)N(c2c(N1)cc(N/N=N/c1nc3c([nH]1)n(C)c(=O)n(c3=O)C)cc2)C(=O)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 C19H21N9O4 MW 439.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N9O4/c1-9-7-14(30)20-12-8-11(5-6-13(12)28(9)10(2)29)23-25-24-18-21-15-16(22-18)26(3)19(32)27(4)17(15)31/h5-6,8-9H,7H2,1-4H3,(H,20,30)(H2,21,22,23,24)InChIKey
LTZVIDFLPGEJJP-UHFFFAOYSA-NSynonyms
8((1E)3(1acetyl2methyl4oxo2345tetrahydro1H15benzodiazepin7yl)triaz1en1yl)13dimethyl39dihydro1Hpurine26dione
MFCD06244556
O=C1CC(C)N(c2c(N1)cc(NN=Nc1nc3c((nH)1)n(C)c(=O)n(c3=O)C)cc2)C(=O)C
ZINC000008695022
ZINC000008695023
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