Vitas-M small molecule compound
1,2-bis(4-ethoxyphenyl)-2-hydroxy-3-methyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL298365
SMILES CCOc1ccc(cc1)[N+]1=C2CCCCCN2C(C1(O)c1ccc(cc1)OCC)C
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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 C25H33N2O3 MW 409.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N2O3/c1-4-29-22-14-10-20(11-15-22)25(28)19(3)26-18-8-6-7-9-24(26)27(25)21-12-16-23(17-13-21)30-5-2/h10-17,19,28H,4-9,18H2,1-3H3/q+1InChIKey
KHAGOYMERVMYHY-UHFFFAOYSA-NSynonyms
12bis(4ethoxyphenyl)2hydroxy3methyl256789hexahydro3Himidazo(12a)azepin1ium
12bis(4ethoxyphenyl)3methyl356789hexahydroimidazo(12a)azepin4ium2ol
CCOC1=CC=C(C=C1)C2(C((N+)3=C(N2C4=CC=C(C=C4)OCC)CCCCC3)C)O
CCOc1ccc(cc1)(N+)1=C2CCCCCN2C(C1(O)c1ccc(cc1)OCC)C
InChI=1SC25H33N2O3c142922141020(111522)25(28)19(3)2618867924(26)27(25)21121623(171321)3052h10171928H4918H213H3q+1
MFCD01123794
ZINC000001823491
ZINC000001823494
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