Vitas-M small molecule compound

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

Catalog ID
STK527766
SMILES CCCCCCCCCn1c(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 C23H31N7O4 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N7O4/c1-4-5-6-7-8-9-10-15-29-19-20(28(3)23(32)25-21(19)31)24-22(29)27-26-16(2)17-11-13-18(14-12-17)30(33)34/h11-14H,4-10,15H2,1-3H3,(H,24,27)(H,25,31,32)/b26-16+
InChIKey
ATWVIEHMKFNQNK-WGOQTCKBSA-N
Synonyms
300839-16-1
(E)3methyl8(2(1(4nitrophenyl)ethylidene)hydrazinyl)7nonyl1Hpurine26(3H7H)dione
300839161
3methyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)7nonyl37dihydro1Hpurine26dione
3methyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)7nonylpurine26dione
CCCCCCCCCn1c(NN=C(c2ccc(cc2)(N+)(=O)(O))C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC23H31N7O4c14567891015291920(28(3)23(32)2521(19)31)2422(29)272616(2)17111318(141217)30(33)34h1114H41015H213H3(H2427)(H253132)b2616+
MFCD01551798
ZINC000100167748
ZINC100167752

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Available files

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