Vitas-M small molecule compound
(4Z)-4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Catalog ID
STL004567
SMILES O=C1OC(=N/C/1=C\c1c(C)nn(c1Cl)c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C20H12Cl2N4O4 MW 443.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12Cl2N4O4/c1-11-14(18(22)25(24-11)13-5-3-2-4-6-13)10-16-20(27)30-19(23-16)12-7-8-15(21)17(9-12)26(28)29/h2-10H,1H3/b16-10-InChIKey
BALZWFYGELRMEN-YBEGLDIGSA-NSynonyms
377059-08-0(4Z)4((5chloro3methyl1phenyl1Hpyrazol4yl)methylidene)2(4chloro3nitrophenyl)13oxazol5(4H)one
(4Z)4((5CHLORO3METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)2(4CHLORO3NITROPHENYL)13OXAZOL5ONE
(Z)4((5chloro3methyl1phenyl1Hpyrazol4yl)methylene)2(4chloro3nitrophenyl)oxazol5(4H)one
377059080
CC1=NN(C(=C1C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))Cl)C4=CC=CC=C4
InChI=1SC20H12Cl2N4O4c11114(18(22)25(2411)135324613)101620(27)3019(2316)127815(21)17(912)26(28)29h210H1H3b1610
MFCD02983389
O=C1OC(=NC1=Cc1c(C)nn(c1Cl)c1ccccc1)c1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000001838454
ZINC01838454
ZINC1838454
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