Vitas-M small molecule compound

(2E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(2-methylphenyl)prop-2-enamide

Catalog ID
STK732969
SMILES N#C/C(=C\c1ccc(o1)c1nc2c(s1)cccc2)/C(=O)Nc1ccccc1C

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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 C22H15N3O2S MW 385.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O2S/c1-14-6-2-3-7-17(14)24-21(26)15(13-23)12-16-10-11-19(27-16)22-25-18-8-4-5-9-20(18)28-22/h2-12H,1H3,(H,24,26)/b15-12+
InChIKey
FBLJJRUSEXDALF-NTCAYCPXSA-N
Synonyms
848204-36-4
(2E)3(5(13benzothiazol2yl)furan2yl)2cyanoN(2methylphenyl)prop2enamide
(2E)3(5BENZOTHIAZOL2YL(2FURYL))2CYANON(2METHYLPHENYL)PROP2ENAMIDE
(E)3(5(13BENZOTHIAZOL2YL)FURAN2YL)2CYANON(2METHYLPHENYL)PROP2ENAMIDE
(E)3(5(benzo(d)thiazol2yl)furan2yl)2cyanoN(otolyl)acrylamide
848204364
CC1=CC=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=NC4=CC=CC=C4S3)C#N
InChI=1SC22H15N3O2Sc114623717(14)2421(26)15(1323)1216101119(2716)222518845920(18)2822h212H1H3(H2426)b1512+
MFCD04187841
N#CC(=Cc1ccc(o1)c1nc2c(s1)cccc2)C(=O)Nc1ccccc1C
ZINC000005013335
ZINC05013335
ZINC5013335

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Available files

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