Vitas-M small molecule compound
(5Z)-3-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-(3-nitrophenyl)-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STK783780
SMILES O=C1/C(=C/c2ccc3c(c2)OCO3)/N=C(N1CCc1nc2c([nH]1)cccc2)c1cccc(c1)[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 C26H19N5O5 MW 481.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N5O5/c32-26-21(12-16-8-9-22-23(13-16)36-15-35-22)29-25(17-4-3-5-18(14-17)31(33)34)30(26)11-10-24-27-19-6-1-2-7-20(19)28-24/h1-9,12-14H,10-11,15H2,(H,27,28)/b21-12-InChIKey
DPZLRHCNYPZJFN-MTJSOVHGSA-NSynonyms
(5Z)3(2(1Hbenzimidazol2yl)ethyl)5(13benzodioxol5ylmethylidene)2(3nitrophenyl)35dihydro4Himidazol4one
(5Z)3(2(1HBENZIMIDAZOL2YL)ETHYL)5(13BENZODIOXOL5YLMETHYLIDENE)2(3NITROPHENYL)IMIDAZOL4ONE
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=N3)C4=CC(=CC=C4)(N+)(=O)(O))CCC5=NC6=CC=CC=C6N5
InChI=1SC26H19N5O5c322621(1216892223(1316)36153522)2925(1743518(1417)31(33)34)30(26)1110242719612720(19)2824h191214H101115H2(H2728)b2112
MFCD06618934
O=C1C(=Cc2ccc3c(c2)OCO3)N=C(N1CCc1nc2c((nH)1)cccc2)c1cccc(c1)(N+)(=O)(O)
ZINC000012360096
ZINC12360096
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