Vitas-M small molecule compound
1-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
Catalog ID
STL264493
SMILES COc1cc(ccc1OC)c1c[n+](c2n1CCC2)c1ccc(cc1)SC(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 C21H21F2N2O2S MW 403.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F2N2O2S/c1-26-18-10-5-14(12-19(18)27-2)17-13-25(20-4-3-11-24(17)20)15-6-8-16(9-7-15)28-21(22)23/h5-10,12-13,21H,3-4,11H2,1-2H3/q+1InChIKey
GEERZJQEGXKEOF-UHFFFAOYSA-NSynonyms
1(4((difluoromethyl)sulfanyl)phenyl)3(34dimethoxyphenyl)67dihydro5Hpyrrolo(12a)imidazol1ium
1(4(DIFLUOROMETHYLSULFANYL)PHENYL)3(34DIMETHOXYPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL4IUM
4(1(4(DIFLUOROMETHYLTHIO)PHENYL)PYRROLIDINO(12A)IMIDAZOL3YL)12DIMETHOXYBENZENE
COC1=C(C=C(C=C1)C2=CN(C3=(N+)2CCC3)C4=CC=C(C=C4)SC(F)F)OC
COc1cc(ccc1OC)c1c(n+)(c2n1CCC2)c1ccc(cc1)SC(F)F
InChI=1SC21H21F2N2O2Sc1261810514(1219(18)272)171325(20431124(17)20)156816(9715)2821(22)23h510121321H3411H212H3q+1
MFCD02989210
ZINC000013496548
ZINC13496548
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