Vitas-M small molecule compound
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Catalog ID
STK753452
SMILES O=C1OC(=N/C/1=C\c1ccc2c(c1)OCO2)c1ccc(c(c1)[N+](=O)[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 C18H12N2O6 MW 352.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O6/c1-10-2-4-12(8-14(10)20(22)23)17-19-13(18(21)26-17)6-11-3-5-15-16(7-11)25-9-24-15/h2-8H,9H2,1H3/b13-6-InChIKey
AKRIRJPUWPOVEW-MLPAPPSSSA-NSynonyms
(4Z)4(13benzodioxol5ylmethylidene)2(4methyl3nitrophenyl)13oxazol5(4H)one
(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2(4METHYL3NITROPHENYL)13OXAZOL5ONE
4BENZO(13)DIOXOL5YLMETHYLENE2(4METHYL3NITROPHENYL)4HOXAZOL5ONE
CC1=C(C=C(C=C1)C2=NC(=CC3=CC4=C(C=C3)OCO4)C(=O)O2)(N+)(=O)(O)
InChI=1SC18H12N2O6c1102412(814(10)20(22)23)171913(18(21)2617)611351516(711)2592415h28H9H21H3b136
MFCD00565459
O=C1OC(=NC1=Cc1ccc2c(c1)OCO2)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000004460212
ZINC04460212
ZINC4460212
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