Vitas-M small molecule compound
1,4-bis{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-1,4-diazoniabicyclo[2.2.2]octane
Catalog ID
STL036714
SMILES COc1ccc(cc1)NC(=O)C[N+]12CC[N+](CC1)(CC2)CC(=O)Nc1ccc(cc1)OC
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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 C24H32N4O4 MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O4/c1-31-21-7-3-19(4-8-21)25-23(29)17-27-11-14-28(15-12-27,16-13-27)18-24(30)26-20-5-9-22(32-2)10-6-20/h3-10H,11-18H2,1-2H3/p+2InChIKey
QDWYHQNTWZZVSQ-UHFFFAOYSA-PSynonyms
14bis(2((4methoxyphenyl)amino)2oxoethyl)14diazabicyclo(222)octane14diiumchloride
14bis(2((4methoxyphenyl)amino)2oxoethyl)14diazoniabicyclo(222)octane
2(4(2(4METHOXYANILINO)2OXOETHYL)14DIAZONIABICYCLO(222)OCTAN1YL)N(4METHOXYPHENYL)ACETAMIDE
COC1=CC=C(C=C1)NC(=O)C(N+)23CC(N+)(CC2)(CC3)CC(=O)NC4=CC=C(C=C4)OC
COc1ccc(cc1)NC(=O)C(N+)12CC(N+)(CC1)(CC2)CC(=O)Nc1ccc(cc1)OC
COc1ccc(cc1)NC(=O)C(N+)12CC(N+)(CC1)(CC2)CC(=O)Nc1ccc(cc1)OC(Cl)(Cl)
InChI=1SC24H30N4O4c131217319(4821)2523(29)1727111428(151227161327)1824(30)26205922(322)10620h310H1118H212H3p+2
ZINC000002280034
ZINC02280034
ZINC2280034
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