Vitas-M small molecule compound

2-{[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino}benzoic acid

Catalog ID
STK550088
SMILES N#C/C(=C\Nc1ccccc1C(=O)O)/c1nc2c(s1)cccc2

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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 C17H11N3O2S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O2S/c18-9-11(16-20-14-7-3-4-8-15(14)23-16)10-19-13-6-2-1-5-12(13)17(21)22/h1-8,10,19H,(H,21,22)/b11-10+
InChIKey
ORESVFFMYVWZLG-ZHACJKMWSA-N
Synonyms
610758-89-9
(E)2((2(benzo(d)thiazol2yl)2cyanovinyl)amino)benzoicacid
2(((1E)2BENZOTHIAZOL2YL2CYANOVINYL)AMINO)BENZOICACID
2(((E)2(13benzothiazol2yl)2cyanoethenyl)amino)benzoicacid
610758899
C1=CC=C(C(=C1)C(=O)O)NC=C(C#N)C2=NC3=CC=CC=C3S2
InChI=1SC17H11N3O2Sc18911(162014734815(14)2316)101913621512(13)17(21)22h181019H(H2122)b1110+
MFCD03672371
N#CC(=CNc1ccccc1C(=O)O)c1nc2c(s1)cccc2
ZINC000005023913
ZINC5023913

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Available files

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