Vitas-M small molecule compound
2,2'-butane-1,4-diylbis[1,3-bis(oxiran-2-ylmethyl)-1H-3,1-benzimidazol-3-ium]
Catalog ID
STL326192
SMILES C(Cc1n(CC2CO2)c2c([n+]1CC1CO1)cccc2)CCc1n(CC2CO2)c2c([n+]1CC1CO1)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 C30H36N4O4 MW 516.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N4O4/c1-2-8-26-25(7-1)31(13-21-17-35-21)29(32(26)14-22-18-36-22)11-5-6-12-30-33(15-23-19-37-23)27-9-3-4-10-28(27)34(30)16-24-20-38-24/h1-4,7-10,21-24H,5-6,11-20H2/q+2InChIKey
LTBIBAOORDTRQL-UHFFFAOYSA-NSynonyms
2(4(13BIS(OXIRAN2YLMETHYL)BENZIMIDAZOL3IUM2YL)BUTYL)13BIS(OXIRAN2YLMETHYL)BENZIMIDAZOL3IUM
22butane14diylbis(13bis(oxiran2ylmethyl)1H31benzimidazol3ium)
C(Cc1n(CC2CO2)c2c((n+)1CC1CO1)cccc2)CCc1n(CC2CO2)c2c((n+)1CC1CO1)cccc2
C1C(O1)CN2C3=CC=CC=C3(N+)(=C2CCCCC4=(N+)(C5=CC=CC=C5N4CC6CO6)CC7CO7)CC8CO8
InChI=1SC30H36N4O4c1282625(71)31(1321173521)29(32(26)1422183622)1156123033(1523193723)279341028(27)34(30)1624203824h147102124H561120H2q+2
MFCD01086170
ZINC000100707404
ZINC000100707410
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