Vitas-M small molecule compound
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-(3-nitrophenyl)-1,2-oxazol-5(4H)-one
Catalog ID
STK674909
SMILES O=C1ON=C(/C/1=C/c1ccc2c(c1)OCO2)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 C17H10N2O6 MW 338.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10N2O6/c20-17-13(6-10-4-5-14-15(7-10)24-9-23-14)16(18-25-17)11-2-1-3-12(8-11)19(21)22/h1-8H,9H2/b13-6-InChIKey
CUSVTLLDOCQKAB-MLPAPPSSSA-NSynonyms
(4Z)4(13benzodioxol5ylmethylidene)3(3nitrophenyl)12oxazol5(4H)one
(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)3(3NITROPHENYL)12OXAZOL5ONE
4(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)3(3NITROPHENYL)ISOXAZOL5ONE
C1OC2=C(O1)C=C(C=C2)C=C3C(=NOC3=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC17H10N2O6c201713(610451415(710)2492314)16(182517)1121312(811)19(21)22h18H9H2b136
MFCD01461324
O=C1ON=C(C1=Cc1ccc2c(c1)OCO2)c1cccc(c1)(N+)(=O)(O)
ZINC000012428890
ZINC12428890
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