Vitas-M small molecule compound
2-{4-[(E)-{3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]-2-methoxyphenoxy}-N-(2,5-dimethylphenyl)acetamide
Catalog ID
STL367507
SMILES COc1cc(ccc1OCC(=O)Nc1cc(C)ccc1C)/C=C\1/SC(=O)N(C1=O)CC(=O)N1CCc2c(C1)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 C32H31N3O6S MW 585.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O6S/c1-20-8-9-21(2)25(14-20)33-29(36)19-41-26-11-10-22(15-27(26)40-3)16-28-31(38)35(32(39)42-28)18-30(37)34-13-12-23-6-4-5-7-24(23)17-34/h4-11,14-16H,12-13,17-19H2,1-3H3,(H,33,36)/b28-16+InChIKey
BKYGWPWQJTUKJV-LQKURTRISA-NSynonyms
2(4((E)(3(2(34dihydro1Hisoquinolin2yl)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)N(25dimethylphenyl)acetamide
2(4((E)(3(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)N(25dimethylphenyl)acetamide
CC1=CC(=C(C=C1)C)NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCC5=CC=CC=C5C4)OC
COc1cc(ccc1OCC(=O)Nc1cc(C)ccc1C)C=C1SC(=O)N(C1=O)CC(=O)N1CCc2c(C1)cccc2
InChI=1SC32H31N3O6Sc1208921(2)25(1420)3329(36)194126111022(1527(26)403)162831(38)35(32(39)4228)1830(37)34131223645724(23)1734h4111416H12131719H213H3(H3336)b2816+
MFCD28951835
ZINC000101144826
ZINC101144826
Check stock
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Check stock on Vitas-MAvailable files
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