Vitas-M small molecule compound

6-hydroxy-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STL050875
SMILES OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCNCC1)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 C19H23N7O6 MW 445.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N7O6/c1-23-16-15(17(28)22-19(23)29)25(18(21-16)24-8-6-20-7-9-24)10-13(27)11-32-14-4-2-12(3-5-14)26(30)31/h2-5,13,20,27H,6-11H2,1H3,(H,22,28,29)
InChIKey
HLXACOWENFSCPF-UHFFFAOYSA-N
Synonyms
476294-12-9
476294129
6hydroxy7(2hydroxy3(4nitrophenoxy)propyl)3methyl8(piperazin1yl)37dihydro2Hpurin2one
7(2HYDROXY3(4NITROPHENOXY)PROPYL)3METHYL8(PIPERAZIN1YL)1HPURINE26(3H7H)DIONE
7(2HYDROXY3(4NITROPHENOXY)PROPYL)3METHYL8PIPERAZIN1YL37DIHYDRO1HPURINE26DIONE
7(2HYDROXY3(4NITROPHENOXY)PROPYL)3METHYL8PIPERAZIN1YLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC(COC4=CC=C(C=C4)(N+)(=O)(O))O
InChI=1SC19H23N7O6c1231615(17(28)2219(23)29)25(18(2116)2486207924)1013(27)1132144212(3514)26(30)31h25132027H611H21H3(H222829)
MFCD05730824
OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCNCC1)COc1ccc(cc1)(N+)(=O)(O)
ZINC000009192113
ZINC000009192114

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.