Vitas-M small molecule compound

7-heptyl-3-methyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK527958
SMILES CCCCCCCn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=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 C21H27N7O4 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N7O4/c1-4-5-6-7-8-13-27-17-18(26(3)21(30)23-19(17)29)22-20(27)25-24-14(2)15-9-11-16(12-10-15)28(31)32/h9-12H,4-8,13H2,1-3H3,(H,22,25)(H,23,29,30)/b24-14+
InChIKey
VMMUAMAEJYDSEB-ZVHZXABRSA-N
Synonyms
324539-10-8
(E)7heptyl3methyl8(2(1(4nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
7heptyl3methyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)37dihydro1Hpurine26dione
7heptyl3methyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)purine26dione
CCCCCCCn1c(NN=C(c2ccc(cc2)(N+)(=O)(O))C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC21H27N7O4c14567813271718(26(3)21(30)2319(17)29)2220(27)252414(2)1591116(121015)28(31)32h912H4813H213H3(H2225)(H232930)b2414+
MFCD01550176
ZINC000100667783

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Available files

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