Vitas-M small molecule compound
1-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]-3-(4-nitrophenoxy)propan-2-yl acetate
Catalog ID
STL325396
SMILES CC(=O)OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1)COc1ccc(cc1)[N+](=O)[O-]
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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 C22H26N6O7 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O7/c1-14(29)35-17(13-34-16-8-6-15(7-9-16)28(32)33)12-27-18-19(25(2)22(31)24-20(18)30)23-21(27)26-10-4-3-5-11-26/h6-9,17H,3-5,10-13H2,1-2H3,(H,24,30,31)InChIKey
GEDGYJVMNMLDDE-UHFFFAOYSA-NSynonyms
371954-54-0(1(3METHYL26DIOXO8PIPERIDIN1YLPURIN7YL)3(4NITROPHENOXY)PROPAN2YL)ACETATE
1(3methyl26dioxo8(piperidin1yl)1236tetrahydro7Hpurin7yl)3(4nitrophenoxy)propan2ylacetate
1(3methyl26dioxo8(piperidin1yl)23dihydro1Hpurin7(6H)yl)3(4nitrophenoxy)propan2ylacetate
371954540
CC(=O)OC(Cn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCCCC1)COc1ccc(cc1)(N+)(=O)(O)
CC(=O)OC(CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)COC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H26N6O7c114(29)3517(1334168615(7916)28(32)33)12271819(25(2)22(31)2420(18)30)2321(27)26104351126h6917H351013H212H3(H243031)
MFCD01875137
ZINC000008951393
ZINC000008951394
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