Vitas-M small molecule compound

(2E)-2-{[(pyridin-4-ylmethyl)amino]methylidene}-1-benzothiophen-3(2H)-one

Catalog ID
STK744614
SMILES O=C1/C(=C\NCc2ccncc2)/Sc2c1cccc2

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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 C15H12N2OS MW 268.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N2OS/c18-15-12-3-1-2-4-13(12)19-14(15)10-17-9-11-5-7-16-8-6-11/h1-8,10,17H,9H2/b14-10+
InChIKey
MKDBUMUWDLCWHY-GXDHUFHOSA-N
Synonyms

(2E)2(((pyridin4ylmethyl)amino)methylidene)1benzothiophen3(2H)one
(2E)2((PYRIDIN4YLMETHYLAMINO)METHYLIDENE)1BENZOTHIOPHEN3ONE
(Z)2(((pyridin4ylmethyl)amino)methylene)benzo(b)thiophen3(2H)one
2(((4PYRIDYLMETHYL)AMINO)METHYLENE)BENZO(B)THIOPHEN3ONE
C1=CC=C2C(=C1)C(=O)C(=CNCC3=CC=NC=C3)S2
InChI=1SC15H12N2OSc181512312413(12)1914(15)101791157168611h181017H9H2b1410+
MFCD03248847
O=C1C(=CNCc2ccncc2)Sc2c1cccc2
ZINC000100981941
ZINC100981941

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Available files

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