Vitas-M small molecule compound
(5Z)-5-(4-fluorobenzylidene)-3-{3-[2-(methylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797591
SMILES CSc1nc2c(n1C(=O)CCN1C(=S)S/C(=C\c3ccc(cc3)F)/C1=O)cccc2
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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 C21H16FN3O2S3 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN3O2S3/c1-29-20-23-15-4-2-3-5-16(15)25(20)18(26)10-11-24-19(27)17(30-21(24)28)12-13-6-8-14(22)9-7-13/h2-9,12H,10-11H2,1H3/b17-12-InChIKey
CGAAIUOWYLVTKU-ATVHPVEESA-NSynonyms
(5Z)5((4FLUOROPHENYL)METHYLIDENE)3(3(2METHYLSULFANYLBENZIMIDAZOL1YL)3OXOPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(4fluorobenzylidene)3(3(2(methylsulfanyl)1Hbenzimidazol1yl)3oxopropyl)2thioxo13thiazolidin4one
(Z)5(4fluorobenzylidene)3(3(2(methylthio)1Hbenzo(d)imidazol1yl)3oxopropyl)2thioxothiazolidin4one
CSC1=NC2=CC=CC=C2N1C(=O)CCN3C(=O)C(=CC4=CC=C(C=C4)F)SC3=S
CSc1nc2c(n1C(=O)CCN1C(=S)SC(=Cc3ccc(cc3)F)C1=O)cccc2
InChI=1SC21H16FN3O2S3c129202315423516(15)25(20)18(26)10112419(27)17(3021(24)28)12136814(22)9713h2912H1011H21H3b1712
MFCD02992400
ZINC000009008337
ZINC09008337
ZINC9008337
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