Vitas-M small molecule compound
(4Z)-4-(3-methoxy-4-propoxybenzylidene)-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Catalog ID
STL036488
SMILES CCCOc1ccc(cc1OC)/C=C/1\N=C(OC1=O)c1cccc(c1)[N+](=O)[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 C20H18N2O6 MW 382.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6/c1-3-9-27-17-8-7-13(11-18(17)26-2)10-16-20(23)28-19(21-16)14-5-4-6-15(12-14)22(24)25/h4-8,10-12H,3,9H2,1-2H3/b16-10-InChIKey
PXQDBFFOLTUKLM-YBEGLDIGSA-NSynonyms
(4Z)4((3METHOXY4PROPOXYPHENYL)METHYLIDENE)2(3NITROPHENYL)13OXAZOL5ONE
(4Z)4(3methoxy4propoxybenzylidene)2(3nitrophenyl)13oxazol5(4H)one
(Z)4(3methoxy4propoxybenzylidene)2(3nitrophenyl)oxazol5(4H)one
CCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)(N+)(=O)(O))OC
CCCOc1ccc(cc1OC)C=C1N=C(OC1=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H18N2O6c13927178713(1118(17)262)101620(23)2819(2116)1454615(1214)22(24)25h481012H39H212H3b1610
MFCD01054463
ZINC000002313218
ZINC02313218
ZINC2313218
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