Vitas-M small molecule compound

(2Z)-6-[(3-methylbut-2-en-1-yl)oxy]-2-(4-nitrobenzylidene)-1-benzofuran-3(2H)-one

Catalog ID
STK921599
SMILES CC(=CCOc1ccc2c(c1)O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=O)C

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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 C20H17NO5 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5/c1-13(2)9-10-25-16-7-8-17-18(12-16)26-19(20(17)22)11-14-3-5-15(6-4-14)21(23)24/h3-9,11-12H,10H2,1-2H3/b19-11-
InChIKey
QDMNSSUCJSLDIC-ODLFYWEKSA-N
Synonyms
622807-88-9
(2Z)6((3methylbut2en1yl)oxy)2(4nitrobenzylidene)1benzofuran3(2H)one
(2Z)6(3METHYLBUT2ENOXY)2((4NITROPHENYL)METHYLIDENE)1BENZOFURAN3ONE
(Z)6((3methylbut2en1yl)oxy)2(4nitrobenzylidene)benzofuran3(2H)one
6(3METHYLBUT2ENYLOXY)2((4NITROPHENYL)METHYLENE)BENZO(B)FURAN3ONE
622807889
CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))O2)C
CC(=CCOc1ccc2c(c1)OC(=Cc1ccc(cc1)(N+)(=O)(O))C2=O)C
InChI=1SC20H17NO5c113(2)9102516781718(1216)2619(20(17)22)11143515(6414)21(23)24h391112H10H212H3b1911
MFCD04177424
ZINC000005155621
ZINC05155621
ZINC5155621

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Available files

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