Vitas-M small molecule compound

(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl benzoate

Catalog ID
STK924217
SMILES O=C(c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccncc1)/C2=O

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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 C21H13NO4 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13NO4/c23-20-17-7-6-16(25-21(24)15-4-2-1-3-5-15)13-18(17)26-19(20)12-14-8-10-22-11-9-14/h1-13H/b19-12-
InChIKey
HJEUUIBKBPXGFF-UNOMPAQXSA-N
Synonyms
1164461-89-5
((2Z)3OXIDANYLIDENE2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN6YL)BENZOATE
((2Z)3OXO2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN6YL)BENZOATE
(2Z)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6ylbenzoate
(Z)3oxo2(pyridin4ylmethylene)23dihydrobenzofuran6ylbenzoate
1164461895
3OXO2(4PYRIDYLMETHYLENE)BENZO(34B)FURAN6YLBENZOATE
BENZOICACID((2Z)3KETO2(4PYRIDYLMETHYLENE)COUMARAN6YL)ESTER
BENZOICACID((2Z)3OXO2(PYRIDIN4YLMETHYLIDENE)6BENZOFURANYL)ESTER
BENZOICACID3OXO2(1PYRIDIN4YLMETH(Z)YLIDENE)23DIHYDROBENZOFURAN6YLESTER
C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3
InChI=1SC21H13NO4c2320177616(2521(24)154213515)1318(17)2619(20)12148102211914h113Hb1912
MFCD04167661
ZINC000005179571
ZINC05179571
ZINC5179571

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Available files

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