Vitas-M small molecule compound

(2Z)-2-[5-(3-chloro-4-methylbenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoethanamide

Catalog ID
STK740622
SMILES COc1cccc(c1)N1C(=O)C(S/C/1=C(\C(=O)N)/C#N)Cc1ccc(c(c1)Cl)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 C21H18ClN3O3S MW 427.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3S/c1-12-6-7-13(8-17(12)22)9-18-20(27)25(14-4-3-5-15(10-14)28-2)21(29-18)16(11-23)19(24)26/h3-8,10,18H,9H2,1-2H3,(H2,24,26)/b21-16-
InChIKey
SZGPJVZQTYZWDF-PGMHBOJBSA-N
Synonyms
577961-42-3
(2Z)2(5((3CHLORO4METHYLPHENYL)METHYL)3(3METHOXYPHENYL)4OXO13THIAZOLIDIN2YLIDENE)2CYANOACETAMIDE
(2Z)2(5(3chloro4methylbenzyl)3(3methoxyphenyl)4oxo13thiazolidin2ylidene)2cyanoethanamide
(Z)2(5(3chloro4methylbenzyl)3(3methoxyphenyl)4oxothiazolidin2ylidene)2cyanoacetamide
2(5((3CHLORO4METHYLPHENYL)METHYL)3(3METHOXYPHENYL)4OXO(13THIAZOLIDIN2YLIDENE))2CYANOACETAMIDE
577961423
CC1=C(C=C(C=C1)CC2C(=O)N(C(=C(C#N)C(=O)N)S2)C3=CC(=CC=C3)OC)Cl
COc1cccc(c1)N1C(=O)C(SC1=C(C(=O)N)C#N)Cc1ccc(c(c1)Cl)C
InChI=1SC21H18ClN3O3Sc1126713(817(12)22)91820(27)25(1443515(1014)282)21(2918)16(1123)19(24)26h381018H9H212H3(H22426)b2116
MFCD04028629
ZINC000002384886
ZINC000002384889

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Available files

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