Vitas-M small molecule compound
3-(3-nitrophenyl)-1-phenyl-1,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium perchlorate
Catalog ID
STL035118
SMILES [O-][Cl](=O)(=O)=O.[O-][N+](=O)c1cccc(c1)c1cn(c2[n+]1CCCS2)c1ccccc1
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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 C18H16ClN3O6S MW 437.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N3O2S.ClHO4/c22-21(23)16-9-4-6-14(12-16)17-13-20(15-7-2-1-3-8-15)18-19(17)10-5-11-24-18;2-1(3,4)5/h1-4,6-9,12-13H,5,10-11H2;(H,2,3,4,5)/q+1;/p-1InChIKey
WNINTIZTNONVRY-UHFFFAOYSA-MSynonyms
474621-69-7(O)(Cl)(=O)(=O)=O(O)(N+)(=O)c1cccc(c1)c1cn(c2(n+)1CCCS2)c1ccccc1
3(3nitrophenyl)1phenyl1567tetrahydroimidazo(21b)(13)thiazin4iumperchlorate
3(3NITROPHENYL)1PHENYL67DIHYDRO5HIMIDAZO(21B)(13)THIAZIN4IUMPERCHLORATE
474621697
C1C(N+)2=C(N(C=C2C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4)SC1(O)Cl(=O)(=O)=O
InChI=1SC18H16N3O2SClHO4c2221(23)1694614(1216)171320(157213815)1819(17)10511241821(34)5h14691213H51011H2(H2345)q+1p1
MFCD01595221
ZINC000015684921
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