Vitas-M small molecule compound
5-(ethoxycarbonyl)-1,3-diethyl-2-[(E)-2-{[(4-methylphenyl)sulfonyl](phenyl)amino}ethenyl]-1H-3,1-benzimidazol-3-ium
Catalog ID
STK372886
SMILES CCOC(=O)c1ccc2c(c1)[n+](CC)c(n2CC)/C=C/N(S(=O)(=O)c1ccc(cc1)C)c1ccccc1
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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 C29H32N3O4S MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N3O4S/c1-5-30-26-18-15-23(29(33)36-7-3)21-27(26)31(6-2)28(30)19-20-32(24-11-9-8-10-12-24)37(34,35)25-16-13-22(4)14-17-25/h8-21H,5-7H2,1-4H3/q+1InChIKey
BICISIHJSLNHQG-UHFFFAOYSA-NSynonyms
5(ethoxycarbonyl)13diethyl2((E)2(((4methylphenyl)sulfonyl)(phenyl)amino)ethenyl)1H31benzimidazol3ium
6(ETHOXYCARBONYL)13DIETHYL2(2(((4METHYLPHENYL)SULFONYL)(PHENYL)AMINO)ETHENYL)1H31BENZIMIDAZOL3IUM
CCN1C2=C(C=CC(=C2)C(=O)OCC)(N+)(=C1C=CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)CC
CCOC(=O)c1ccc2c(c1)(n+)(CC)c(n2CC)C=CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1
ETHYL13DIETHYL2((E)2(N(4METHYLPHENYL)SULFONYLANILINO)ETHENYL)BENZIMIDAZOL1IUM5CARBOXYLATE
ETHYL13DIETHYL2(2(N(4METHYLPHENYL)SULFONYLANILINO)ETHENYL)BENZIMIDAZOL1IUM5CARBOXYLATE
InChI=1SC29H32N3O4Sc153026181523(29(33)3673)2127(26)31(62)28(30)192032(241198101224)37(3435)25161322(4)141725h821H57H214H3q+1
ZINC000003098192
ZINC03098192
ZINC3098192
Check stock
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Check stock on Vitas-MAvailable files
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