Vitas-M small molecule compound

2-(4-ethoxyphenyl)-2-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium

Catalog ID
STL321308
SMILES CCOc1ccc(cc1)C1(O)CN2C(=[N+]1c1ccc(cc1)OC)CCCCC2

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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 C23H29N2O3 MW 381.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N2O3/c1-3-28-21-12-8-18(9-13-21)23(26)17-24-16-6-4-5-7-22(24)25(23)19-10-14-20(27-2)15-11-19/h8-15,26H,3-7,16-17H2,1-2H3/q+1
InChIKey
JSRDODSZELYCPC-UHFFFAOYSA-N
Synonyms

2(4ethoxyphenyl)1(4methoxyphenyl)356789hexahydroimidazo(12a)azepin4ium2ol
2(4ethoxyphenyl)2hydroxy1(4methoxyphenyl)256789hexahydro3Himidazo(12a)azepin1ium
2(4ethoxyphenyl)2hydroxy1(4methoxyphenyl)356789hexahydro2Himidazo(12a)azepin1iumbromide
CCOC1=CC=C(C=C1)C2(C(N+)3=C(N2C4=CC=C(C=C4)OC)CCCCC3)O
CCOc1ccc(cc1)C1(O)CN2C(=(N+)1c1ccc(cc1)OC)CCCCC2
CCOc1ccc(cc1)C1(O)CN2C(=(N+)1c1ccc(cc1)OC)CCCCC2(Br)
InChI=1SC23H29N2O3c13282112818(91321)23(26)172416645722(24)25(23)19101420(272)151119h81526H371617H212H3q+1
MFCD01037738
ZINC000013510440
ZINC000013510443

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Available files

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