Vitas-M small molecule compound
2-[(4-{(Z)-[3-(2-chloro-6-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile
Catalog ID
STL379106
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/C=C/1\SC(=O)N(C1=O)Cc1c(F)cccc1Cl
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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 C27H20ClFN2O4S MW 522.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClFN2O4S/c1-2-34-24-12-17(10-11-23(24)35-16-19-7-4-3-6-18(19)14-30)13-25-26(32)31(27(33)36-25)15-20-21(28)8-5-9-22(20)29/h3-13H,2,15-16H2,1H3/b25-13-InChIKey
ATMXSHUNCRBAMD-MXAYSNPKSA-NSynonyms
6121-49-92((4((Z)(3((2CHLORO6FLUOROPHENYL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(3(2chloro6fluorobenzyl)24dioxo13thiazolidin5ylidene)methyl)2ethoxyphenoxy)methyl)benzonitrile
6121499
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F)OCC4=CC=CC=C4C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=C1SC(=O)N(C1=O)Cc1c(F)cccc1Cl
InChI=1SC27H20ClFN2O4Sc1234241217(101123(24)351619743618(19)1430)132526(32)31(27(33)3625)152021(28)85922(20)29h313H21516H21H3b2513
MFCD07084718
ZINC000105979547
ZINC105979547
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