Vitas-M small molecule compound

(4Z)-2-(2-chloro-5-nitrophenyl)-4-(3-methoxy-4-propoxybenzylidene)-1,3-oxazol-5(4H)-one

Catalog ID
STK586646
SMILES CCCOc1ccc(cc1OC)/C=C/1\N=C(OC1=O)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 C20H17ClN2O6 MW 416.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6/c1-3-8-28-17-7-4-12(10-18(17)27-2)9-16-20(24)29-19(22-16)14-11-13(23(25)26)5-6-15(14)21/h4-7,9-11H,3,8H2,1-2H3/b16-9-
InChIKey
SYJSVYTYBIDNPD-SXGWCWSVSA-N
Synonyms
377068-88-7
(4Z)2(2CHLORO5NITROPHENYL)4((3METHOXY4PROPOXYPHENYL)METHYLIDENE)13OXAZOL5ONE
(4Z)2(2chloro5nitrophenyl)4(3methoxy4propoxybenzylidene)13oxazol5(4H)one
(Z)2(2chloro5nitrophenyl)4(3methoxy4propoxybenzylidene)oxazol5(4H)one
377068887
CCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)OC
CCCOc1ccc(cc1OC)C=C1N=C(OC1=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC20H17ClN2O6c13828177412(1018(17)272)91620(24)2919(2216)141113(23(25)26)5615(14)21h47911H38H212H3b169
MFCD01054464
ZINC000002230545
ZINC02230545
ZINC2230545

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Available files

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