Vitas-M small molecule compound

(4Z)-4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5(4H)-one

Catalog ID
STK573743
SMILES O=C1OC(=N/C/1=C\c1c(C)nn(c1Cl)c1ccccc1)c1cc(ccc1Cl)[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 C20H12Cl2N4O4 MW 443.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12Cl2N4O4/c1-11-14(18(22)25(24-11)12-5-3-2-4-6-12)10-17-20(27)30-19(23-17)15-9-13(26(28)29)7-8-16(15)21/h2-10H,1H3/b17-10-
InChIKey
YKAIGWIWQRRKJJ-YVLHZVERSA-N
Synonyms
377065-61-7
(4Z)4((5chloro3methyl1phenyl1Hpyrazol4yl)methylidene)2(2chloro5nitrophenyl)13oxazol5(4H)one
(4Z)4((5CHLORO3METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)2(2CHLORO5NITROPHENYL)13OXAZOL5ONE
(Z)4((5chloro3methyl1phenyl1Hpyrazol4yl)methylene)2(2chloro5nitrophenyl)oxazol5(4H)one
377065617
CC1=NN(C(=C1C=C2C(=O)OC(=N2)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)Cl)C4=CC=CC=C4
InChI=1SC20H12Cl2N4O4c11114(18(22)25(2411)125324612)101720(27)3019(2317)15913(26(28)29)7816(15)21h210H1H3b1710
MFCD02983848
O=C1OC(=NC1=Cc1c(C)nn(c1Cl)c1ccccc1)c1cc(ccc1Cl)(N+)(=O)(O)
ZINC000002353013
ZINC02353013
ZINC2353013

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Available files

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