Vitas-M small molecule compound

2-{[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetamide

Catalog ID
STL033402
SMILES NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/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 C18H13NO6 MW 339.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13NO6/c19-17(20)8-22-11-2-3-12-14(7-11)25-16(18(12)21)6-10-1-4-13-15(5-10)24-9-23-13/h1-7H,8-9H2,(H2,19,20)/b16-6-
InChIKey
SNEYFWTWSCBEME-SOFYXZRVSA-N
Synonyms
859659-65-7
(Z)2((2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)acetamide
2(((2Z)2(13BENZODIOXOL5YLMETHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETAMIDE
2(((2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl)oxy)acetamide
2(2(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETAMIDE
859659657
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)C4=C(O3)C=C(C=C4)OCC(=O)N
InChI=1SC18H13NO6c1917(20)82211231214(711)2516(18(12)21)610141315(510)2492313h17H89H2(H21920)b166
MFCD06493651
NC(=O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
ZINC000002130225
ZINC02130225
ZINC2130225

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Available files

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