Vitas-M small molecule compound
(5Z)-3-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2-methoxyphenyl)-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STK783781
SMILES COc1ccccc1C1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1CCc1nc2c([nH]1)cccc2
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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 C27H22N4O4 MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4/c1-33-22-9-5-2-6-18(22)26-30-21(14-17-10-11-23-24(15-17)35-16-34-23)27(32)31(26)13-12-25-28-19-7-3-4-8-20(19)29-25/h2-11,14-15H,12-13,16H2,1H3,(H,28,29)/b21-14-InChIKey
QMHBNXMGGUFYQT-STZFKDTASA-NSynonyms
(5Z)3(2(1Hbenzimidazol2yl)ethyl)5(13benzodioxol5ylmethylidene)2(2methoxyphenyl)35dihydro4Himidazol4one
(5Z)3(2(1HBENZIMIDAZOL2YL)ETHYL)5(13BENZODIOXOL5YLMETHYLIDENE)2(2METHOXYPHENYL)IMIDAZOL4ONE
COC1=CC=CC=C1C2=NC(=CC3=CC4=C(C=C3)OCO4)C(=O)N2CCC5=NC6=CC=CC=C6N5
COc1ccccc1C1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1CCc1nc2c((nH)1)cccc2
InChI=1SC27H22N4O4c13322952618(22)263021(141710112324(1517)35163423)27(32)31(26)1312252819734820(19)2925h2111415H121316H21H3(H2829)b2114
MFCD06618935
ZINC000012371735
ZINC12371735
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