Vitas-M small molecule compound

7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK078901
SMILES NNc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=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 C15H17BrN6O4 MW 425.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17BrN6O4/c1-21-12-11(13(24)19-15(21)25)22(14(18-12)20-17)6-9(23)7-26-10-4-2-8(16)3-5-10/h2-5,9,23H,6-7,17H2,1H3,(H,18,20)(H,19,24,25)
InChIKey
HAOUBWHSZMEUMZ-UHFFFAOYSA-N
Synonyms
123980-66-5
123980665
7(3(4BROMOPHENOXY)2HYDROXYPROPYL)8HYDRAZINO3METHYL137TRIHYDROPURINE26DIONE
7(3(4bromophenoxy)2hydroxypropyl)8hydrazinyl3methyl1Hpurine26(3H7H)dione
7(3(4BROMOPHENOXY)2HYDROXYPROPYL)8HYDRAZINYL3METHYL37DIHYDRO1HPURINE26DIONE
7(3(4BROMOPHENOXY)2HYDROXYPROPYL)8HYDRAZINYL3METHYLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)CC(COC3=CC=C(C=C3)Br)O
InChI=1SC15H17BrN6O4c1211211(13(24)1915(21)25)22(14(1812)2017)69(23)72610428(16)3510h25923H6717H21H3(H1820)(H192425)
MFCD00230063
NNc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)(nH)c(=O)n2C
STK078901
ZINC000013301775
ZINC000013301777
ZINC03197358
ZINC03197362

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Available files

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