Vitas-M small molecule compound

(4Z)-2-(4-methyl-3-nitrophenyl)-4-[3-(prop-2-en-1-yloxy)benzylidene]-1,3-oxazol-5(4H)-one

Catalog ID
STK956971
SMILES C=CCOc1cccc(c1)/C=C/1\N=C(OC1=O)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 C20H16N2O5 MW 364.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5/c1-3-9-26-16-6-4-5-14(10-16)11-17-20(23)27-19(21-17)15-8-7-13(2)18(12-15)22(24)25/h3-8,10-12H,1,9H2,2H3/b17-11-
InChIKey
VCDFVAHLQRTGBQ-BOPFTXTBSA-N
Synonyms
353472-04-5
(4Z)2(4METHYL3NITROPHENYL)4((3PROP2ENOXYPHENYL)METHYLIDENE)13OXAZOL5ONE
(4Z)2(4methyl3nitrophenyl)4(3(prop2en1yloxy)benzylidene)13oxazol5(4H)one
353472045
4(3(ALLYLOXY)BENZYLIDENE)2(3NITRO4METHYLPHENYL)13OXAZOL5(4H)ONE
C=CCOc1cccc(c1)C=C1N=C(OC1=O)c1ccc(c(c1)(N+)(=O)(O))C
CC1=C(C=C(C=C1)C2=NC(=CC3=CC(=CC=C3)OCC=C)C(=O)O2)(N+)(=O)(O)
InChI=1SC20H16N2O5c139261664514(1016)111720(23)2719(2117)158713(2)18(1215)22(24)25h381012H19H22H3b1711
MFCD01054552
ZINC000004611325
ZINC04611325
ZINC4611325

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Available files

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