Vitas-M small molecule compound
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-{(2Z)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK540704
SMILES OC(Cn1c(N/N=C(\c2ccc(cc2)[N+](=O)[O-])/C)nc2c1c(=O)n(c(=O)n2C)C)COc1ccccc1C
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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 C25H27N7O6 MW 521.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N7O6/c1-15-7-5-6-8-20(15)38-14-19(33)13-31-21-22(29(3)25(35)30(4)23(21)34)26-24(31)28-27-16(2)17-9-11-18(12-10-17)32(36)37/h5-12,19,33H,13-14H2,1-4H3,(H,26,28)/b27-16-InChIKey
BRAOTGYZRHVQIQ-YUMHPJSZSA-NSynonyms
(Z)7(2hydroxy3(otolyloxy)propyl)13dimethyl8(2(1(4nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
7(2hydroxy3(2methylphenoxy)propyl)13dimethyl8((2Z)2(1(4nitrophenyl)ethylidene)hydrazinyl)37dihydro1Hpurine26dione
7(2HYDROXY3(2METHYLPHENOXY)PROPYL)13DIMETHYL8((2Z)2(1(4NITROPHENYL)ETHYLIDENE)HYDRAZINYL)PURINE26DIONE
CC1=CC=CC=C1OCC(CN2C3=C(N=C2NN=C(C)C4=CC=C(C=C4)(N+)(=O)(O))N(C(=O)N(C3=O)C)C)O
InChI=1SC25H27N7O6c115756820(15)381419(33)13312122(29(3)25(35)30(4)23(21)34)2624(31)282716(2)1791118(121017)32(36)37h5121933H1314H214H3(H2628)b2716
MFCD02235534
OC(Cn1c(NN=C(c2ccc(cc2)(N+)(=O)(O))C)nc2c1c(=O)n(c(=O)n2C)C)COc1ccccc1C
ZINC000017138689
ZINC000017138691
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.