Vitas-M small molecule compound
8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK072538
SMILES OC(Cn1c(N/N=C\2/C(=O)Nc3c2cc(Br)cc3)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1
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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 C23H20BrN7O5 MW 554.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN7O5/c1-30-19-18(21(34)27-23(30)35)31(10-13(32)11-36-14-5-3-2-4-6-14)22(26-19)29-28-17-15-9-12(24)7-8-16(15)25-20(17)33/h2-9,13,32H,10-11H2,1H3,(H,26,29)(H,25,28,33)(H,27,34,35)InChIKey
SRSUZOAZAVJOLG-UHFFFAOYSA-NSynonyms
(E)8(2(5bromo2oxoindolin3ylidene)hydrazinyl)7(2hydroxy3phenoxypropyl)3methyl1Hpurine26(3H7H)dione
8((2E)2(5BROMO2OXO12DIHYDRO3HINDOL3YLIDENE)HYDRAZINYL)7(2HYDROXY3PHENOXYPROPYL)3METHYL37DIHYDRO1HPURINE26DIONE
8(2(5BROMO2OXOINDOL3YL)HYDRAZINYL)7(2HYDROXY3PHENOXYPROPYL)3METHYLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CC(COC5=CC=CC=C5)O
InChI=1SC23H20BrN7O5c1301918(21(34)2723(30)35)31(1013(32)1136145324614)22(2619)29281715912(24)7816(15)2520(17)33h291332H1011H21H3(H2629)(H252833)(H273435)
MFCD01051193
OC(Cn1c(NN=C2C(=O)Nc3c2cc(Br)cc3)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1
STK072538
ZINC000097958960
ZINC000097958961
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.