Vitas-M small molecule compound

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

Catalog ID
STK029233
SMILES Cc1ccc(cc1)Cn1c(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 C22H21N7O4 MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N7O4/c1-13-4-6-15(7-5-13)12-28-18-19(27(3)22(31)24-20(18)30)23-21(28)26-25-14(2)16-8-10-17(11-9-16)29(32)33/h4-11H,12H2,1-3H3,(H,23,26)(H,24,30,31)/b25-14+
InChIKey
ZISXCEIZKFHJGL-AFUMVMLFSA-N
Synonyms
303970-28-7
(E)3methyl7(4methylbenzyl)8(2(1(4nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
303970287
3METHYL7((4METHYLPHENYL)METHYL)8((2E)2(1(4NITROPHENYL)ETHYLIDENE)HYDRAZINYL)PURINE26DIONE
3METHYL7(4METHYLBENZYL)8((2E)2(1(4NITROPHENYL)ETHYLIDENE)HYDRAZINYL)37DIHYDRO1HPURINE26DIONE
8(((1E)2(4NITROPHENYL)1AZAPROP1ENYL)AMINO)3METHYL7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2NN=C(C)C4=CC=C(C=C4)(N+)(=O)(O))N(C(=O)NC3=O)C
Cc1ccc(cc1)Cn1c(NN=C(c2ccc(cc2)(N+)(=O)(O))C)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC22H21N7O4c1134615(7513)12281819(27(3)22(31)2420(18)30)2321(28)262514(2)1681017(11916)29(32)33h411H12H213H3(H2326)(H243031)b2514+
MFCD01555325
STK029233
ZINC000017161175
ZINC26608006

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Available files

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