Vitas-M small molecule compound

(4E)-2-(4-chloro-3-nitrophenyl)-4-{4-methoxy-3-[(3-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one

Catalog ID
STK957644
SMILES COc1ccc(cc1OCc1cccc(c1)C)/C=C\1/N=C(OC1=O)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 C25H19ClN2O6 MW 478.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O6/c1-15-4-3-5-17(10-15)14-33-23-12-16(6-9-22(23)32-2)11-20-25(29)34-24(27-20)18-7-8-19(26)21(13-18)28(30)31/h3-13H,14H2,1-2H3/b20-11+
InChIKey
AVIBEWPUZDMWPH-RGVLZGJSSA-N
Synonyms

(4E)2(4CHLORO3NITROPHENYL)4((4METHOXY3((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)13OXAZOL5ONE
(4E)2(4chloro3nitrophenyl)4(4methoxy3((3methylbenzyl)oxy)benzylidene)13oxazol5(4H)one
CC1=CC(=CC=C1)COC2=C(C=CC(=C2)C=C3C(=O)OC(=N3)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))OC
COc1ccc(cc1OCc1cccc(c1)C)C=C1N=C(OC1=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC25H19ClN2O6c11543517(1015)1433231216(6922(23)322)112025(29)3424(2720)187819(26)21(1318)28(30)31h313H14H212H3b2011+
MFCD01647822
ZINC000002084236
ZINC02084236
ZINC2084236

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Available files

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