Vitas-M small molecule compound

(2Z)-2-cyano-2-[5-(3,4-dichlorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide

Catalog ID
STK740621
SMILES COc1cccc(c1)N1C(=O)C(S/C/1=C(\C(=O)NC)/C#N)Cc1ccc(c(c1)Cl)Cl

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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 C21H17Cl2N3O3S MW 462.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N3O3S/c1-25-19(27)15(11-24)21-26(13-4-3-5-14(10-13)29-2)20(28)18(30-21)9-12-6-7-16(22)17(23)8-12/h3-8,10,18H,9H2,1-2H3,(H,25,27)/b21-15-
InChIKey
MIXPHWXRBQZUQR-QNGOZBTKSA-N
Synonyms
578757-64-9
(2Z)2CYANO2(5((34DICHLOROPHENYL)METHYL)3(3METHOXYPHENYL)4OXO13THIAZOLIDIN2YLIDENE)NMETHYLACETAMIDE
(2Z)2cyano2(5(34dichlorobenzyl)3(3methoxyphenyl)4oxo13thiazolidin2ylidene)Nmethylethanamide
(Z)2cyano2(5(34dichlorobenzyl)3(3methoxyphenyl)4oxothiazolidin2ylidene)Nmethylacetamide
2(5((34DICHLOROPHENYL)METHYL)3(3METHOXYPHENYL)4OXO(13THIAZOLIDIN2YLIDENE))2CYANONMETHYLACETAMIDE
578757649
CNC(=O)C(=C1N(C(=O)C(S1)CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=CC=C3)OC)C#N
COc1cccc(c1)N1C(=O)C(SC1=C(C(=O)NC)C#N)Cc1ccc(c(c1)Cl)Cl
InChI=1SC21H17Cl2N3O3Sc12519(27)15(1124)2126(1343514(1013)292)20(28)18(3021)9126716(22)17(23)812h381018H9H212H3(H2527)b2115
MFCD04024884
ZINC000002370948
ZINC000002370952

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Available files

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