Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK743538
SMILES COc1cc(ccc1Oc1nc2c(n1C)c(=O)n(c(=O)n2C)C)/C=C(/c1nc2c([nH]1)cccc2)\C#N
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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 C25H21N7O4 MW 483.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N7O4/c1-30-20-22(31(2)25(34)32(3)23(20)33)29-24(30)36-18-10-9-14(12-19(18)35-4)11-15(13-26)21-27-16-7-5-6-8-17(16)28-21/h5-12H,1-4H3,(H,27,28)/b15-11+InChIKey
WVOGLDFEHZMYKC-RVDMUPIBSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3methoxy4((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)phenyl)prop2enenitrile
(2E)2BENZIMIDAZOL2YL3(3METHOXY4(137TRIMETHYL26DIOXO(137TRIHYDROPURIN8YL)OXY)PHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3METHOXY4(137TRIMETHYL26DIOXOPURIN8YL)OXYPHENYL)PROP2ENENITRILE
CN1C2=C(N=C1OC3=C(C=C(C=C3)C=C(C#N)C4=NC5=CC=CC=C5N4)OC)N(C(=O)N(C2=O)C)C
COc1cc(ccc1Oc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC25H21N7O4c1302022(31(2)25(34)32(3)23(20)33)2924(30)361810914(1219(18)354)1115(1326)212716756817(16)2821h512H14H3(H2728)b1511+
MFCD01809984
ZINC000005221222
ZINC05221222
ZINC5221222
Check stock
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Check stock on Vitas-MAvailable files
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