Vitas-M small molecule compound
(2E,5E)-2-(1,3-benzodioxol-5-ylimino)-5-[4-(4-methylpiperidin-1-yl)-3-nitrobenzylidene]-1,3-thiazolidin-4-one
Catalog ID
STK202643
SMILES CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])/C=C\1/S/C(=N/c2ccc3c(c2)OCO3)/NC1=O
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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 C23H22N4O5S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5S/c1-14-6-8-26(9-7-14)17-4-2-15(10-18(17)27(29)30)11-21-22(28)25-23(33-21)24-16-3-5-19-20(12-16)32-13-31-19/h2-5,10-12,14H,6-9,13H2,1H3,(H,24,25,28)/b21-11+InChIKey
AYMSKHVEUIFBJL-SRZZPIQSSA-NSynonyms
(2E5E)2(13BENZODIOXOL5YLIMINO)5(4(4METHYLPIPERIDIN1YL)3NITROBENZYLIDENE)13THIAZOLIDIN4ONE
(5E)2(13benzodioxol5ylamino)5((4(4methylpiperidin1yl)3nitrophenyl)methylidene)13thiazol4one
CC1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C=C1SC(=Nc2ccc3c(c2)OCO3)NC1=O
CC1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)N=C(S3)NC4=CC5=C(C=C4)OCO5)(N+)(=O)(O)
InChI=1SC23H22N4O5Sc1146826(9714)174215(1018(17)27(29)30)112122(28)2523(3321)2416351920(1216)32133119h25101214H6913H21H3(H242528)b2111+
MFCD07433613
ZINC000009970987
ZINC09970987
ZINC9970987
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