Vitas-M small molecule compound

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

Catalog ID
STK740623
SMILES COc1cccc(c1)N1C(=O)C(S/C/1=C(\C(=O)NC)/C#N)Cc1ccc(cc1)F

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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 C21H18FN3O3S MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O3S/c1-24-19(26)17(12-23)21-25(15-4-3-5-16(11-15)28-2)20(27)18(29-21)10-13-6-8-14(22)9-7-13/h3-9,11,18H,10H2,1-2H3,(H,24,26)/b21-17-
InChIKey
CNEVBAAEQQBLEL-FXBPSFAMSA-N
Synonyms
840515-83-5
(2Z)2CYANO2(5((4FLUOROPHENYL)METHYL)3(3METHOXYPHENYL)4OXO13THIAZOLIDIN2YLIDENE)NMETHYLACETAMIDE
(2Z)2cyano2(5(4fluorobenzyl)3(3methoxyphenyl)4oxo13thiazolidin2ylidene)Nmethylethanamide
(Z)2cyano2(5(4fluorobenzyl)3(3methoxyphenyl)4oxothiazolidin2ylidene)Nmethylacetamide
2CYANO2(5((4FLUOROPHENYL)METHYL)3(3METHOXYPHENYL)4OXO(13THIAZOLIDIN2YLIDENE))NMETHYLACETAMIDE
840515835
CNC(=O)C(=C1N(C(=O)C(S1)CC2=CC=C(C=C2)F)C3=CC(=CC=C3)OC)C#N
COc1cccc(c1)N1C(=O)C(SC1=C(C(=O)NC)C#N)Cc1ccc(cc1)F
InChI=1SC21H18FN3O3Sc12419(26)17(1223)2125(1543516(1115)282)20(27)18(2921)10136814(22)9713h391118H10H212H3(H2426)b2117
MFCD04010392
ZINC000013510695
ZINC000013510698

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Available files

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