Vitas-M small molecule compound

(2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide

Catalog ID
STK557138
SMILES N#C/C(=c\1/s/c(=C/c2cccc(c2OC)OC)/c(=O)n1c1ccccc1C)/C(=O)Nc1cccc(c1)C

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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 C29H25N3O4S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4S/c1-18-9-7-12-21(15-18)31-27(33)22(17-30)29-32(23-13-6-5-10-19(23)2)28(34)25(37-29)16-20-11-8-14-24(35-3)26(20)36-4/h5-16H,1-4H3,(H,31,33)/b25-16+,29-22-
InChIKey
XAPZWYZXPXCVAA-VSSWJOQFSA-N
Synonyms
578001-64-6
(2Z)2CYANO2((5E)5((23DIMETHOXYPHENYL)METHYLIDENE)3(2METHYLPHENYL)4OXO13THIAZOLIDIN2YLIDENE)N(3METHYLPHENYL)ACETAMIDE
(2Z)2cyano2((5E)5(23dimethoxybenzylidene)3(2methylphenyl)4oxo13thiazolidin2ylidene)N(3methylphenyl)ethanamide
(Z)2cyano2((E)5(23dimethoxybenzylidene)4oxo3(otolyl)thiazolidin2ylidene)N(mtolyl)acetamide
578001646
CC1=CC(=CC=C1)NC(=O)C(=C2N(C(=O)C(=CC3=C(C(=CC=C3)OC)OC)S2)C4=CC=CC=C4C)C#N
InChI=1SC29H25N3O4Sc118971221(1518)3127(33)22(1730)2932(2313651019(23)2)28(34)25(3729)16201181424(353)26(20)364h516H14H3(H3133)b2516+2922
MFCD04022880
N#CC(=c1sc(=Cc2cccc(c2OC)OC)c(=O)n1c1ccccc1C)C(=O)Nc1cccc(c1)C
ZINC000009424286
ZINC09424286
ZINC9424286

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.