Vitas-M small molecule compound
1,3-dimethyl-7-(4-methylbenzyl)-8-{(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK539669
SMILES Cc1ccc(cc1)Cn1c(N/N=C(\c2ccc(cc2)[N+](=O)[O-])/C)nc2c1c(=O)n(c(=O)n2C)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 C23H23N7O4 MW 461.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N7O4/c1-14-5-7-16(8-6-14)13-29-19-20(27(3)23(32)28(4)21(19)31)24-22(29)26-25-15(2)17-9-11-18(12-10-17)30(33)34/h5-12H,13H2,1-4H3,(H,24,26)/b25-15-InChIKey
BYJOHQPCAASSNB-MYYYXRDXSA-NSynonyms
(Z)13dimethyl7(4methylbenzyl)8(2(1(4nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
13DIMETHYL7((4METHYLPHENYL)METHYL)8((2Z)2(1(4NITROPHENYL)ETHYLIDENE)HYDRAZINYL)PURINE26DIONE
13dimethyl7(4methylbenzyl)8((2Z)2(1(4nitrophenyl)ethylidene)hydrazinyl)37dihydro1Hpurine26dione
CC1=CC=C(C=C1)CN2C3=C(N=C2NN=C(C)C4=CC=C(C=C4)(N+)(=O)(O))N(C(=O)N(C3=O)C)C
Cc1ccc(cc1)Cn1c(NN=C(c2ccc(cc2)(N+)(=O)(O))C)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC23H23N7O4c1145716(8614)13291920(27(3)23(32)28(4)21(19)31)2422(29)262515(2)1791118(121017)30(33)34h512H13H214H3(H2426)b2515
MFCD02237488
ZINC000008838292
ZINC1303886
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