Vitas-M small molecule compound
1-[4-(difluoromethoxy)phenyl]-3-hydroxy-3-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL264481
SMILES COc1ccc(cc1)C1(O)C[N+](=C2N1CCCCC2)c1ccc(cc1)OC(F)F
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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 C22H25F2N2O3 MW 403.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25F2N2O3/c1-28-18-10-6-16(7-11-18)22(27)15-25(20-5-3-2-4-14-26(20)22)17-8-12-19(13-9-17)29-21(23)24/h6-13,21,27H,2-5,14-15H2,1H3/q+1InChIKey
MTUSOZWNIFXTBY-UHFFFAOYSA-NSynonyms
1(4(difluoromethoxy)phenyl)3(4methoxyphenyl)256789hexahydroimidazo(12a)azepin4ium3ol
1(4(DIFLUOROMETHOXY)PHENYL)3(4METHOXYPHENYL)5H6H7H8H9H2IMIDAZOLINO(12A)AZAPERHYDROEPIN3OL
1(4(difluoromethoxy)phenyl)3hydroxy3(4methoxyphenyl)256789hexahydro3Himidazo(12a)azepin1ium
COC1=CC=C(C=C1)C2(CN(C3=(N+)2CCCCC3)C4=CC=C(C=C4)OC(F)F)O
COc1ccc(cc1)C1(O)C(N+)(=C2N1CCCCC2)c1ccc(cc1)OC(F)F
InChI=1SC22H25F2N2O3c1281810616(71118)22(27)1525(2053241426(20)22)1781219(13917)2921(23)24h6132127H251415H21H3q+1
MFCD02993991
ZINC000001020675
ZINC000001020676
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