Vitas-M small molecule compound
2-[(4-{(Z)-[3-(2-chloro-6-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STL375799
SMILES COc1cc(/C=C/2\SC(=O)N(C2=O)Cc2c(F)cccc2Cl)cc(c1OCc1ccccc1C#N)I
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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 C26H17ClFIN2O4S MW 634.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17ClFIN2O4S/c1-34-22-10-15(9-21(29)24(22)35-14-17-6-3-2-5-16(17)12-30)11-23-25(32)31(26(33)36-23)13-18-19(27)7-4-8-20(18)28/h2-11H,13-14H2,1H3/b23-11-InChIKey
FCSXVCOKKWTGDU-KSEXSDGBSA-NSynonyms
2((4((Z)(3((2CHLORO6FLUOROPHENYL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)2IODO6METHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(3(2chloro6fluorobenzyl)24dioxo13thiazolidin5ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F)I)OCC4=CC=CC=C4C#N
COc1cc(C=C2SC(=O)N(C2=O)Cc2c(F)cccc2Cl)cc(c1OCc1ccccc1C#N)I
InChI=1SC26H17ClFIN2O4Sc134221015(921(29)24(22)351417632516(17)1230)112325(32)31(26(33)3623)131819(27)74820(18)28h211H1314H21H3b2311
MFCD04308332
ZINC000150580669
ZINC150580669
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