Vitas-M small molecule compound

(4Z)-2-(4-methyl-3-nitrophenyl)-4-{2-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-1,3-oxazol-5(4H)-one

Catalog ID
STK957942
SMILES CC(=C)COc1ccccc1/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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-13(2)12-27-19-7-5-4-6-15(19)10-17-21(24)28-20(22-17)16-9-8-14(3)18(11-16)23(25)26/h4-11H,1,12H2,2-3H3/b17-10-
InChIKey
CMRHQQMOQFXVLT-YVLHZVERSA-N
Synonyms
352702-94-4
(4Z)2(4METHYL3NITROPHENYL)4((2(2METHYLPROP2ENOXY)PHENYL)METHYLIDENE)13OXAZOL5ONE
(4Z)2(4methyl3nitrophenyl)4(2((2methylprop2en1yl)oxy)benzylidene)13oxazol5(4H)one
352702944
CC(=C)COc1ccccc1C=C1N=C(OC1=O)c1ccc(c(c1)(N+)(=O)(O))C
CC1=C(C=C(C=C1)C2=NC(=CC3=CC=CC=C3OCC(=C)C)C(=O)O2)(N+)(=O)(O)
InChI=1SC21H18N2O5c113(2)122719754615(19)101721(24)2820(2217)169814(3)18(1116)23(25)26h411H112H223H3b1710
MFCD01648067
ZINC000005747260
ZINC05747260
ZINC5747260

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Available files

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