Vitas-M small molecule compound

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

Catalog ID
STK535478
SMILES CCCOc1ccc(cc1OCC)/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 C21H19ClN2O6 MW 430.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O6/c1-3-9-29-18-8-5-13(11-19(18)28-4-2)10-16-21(25)30-20(23-16)14-6-7-15(22)17(12-14)24(26)27/h5-8,10-12H,3-4,9H2,1-2H3/b16-10-
InChIKey
SQULUOTYEDHRRU-YBEGLDIGSA-N
Synonyms

(4Z)2(4CHLORO3NITROPHENYL)4((3ETHOXY4PROPOXYPHENYL)METHYLIDENE)13OXAZOL5ONE
(4Z)2(4chloro3nitrophenyl)4(3ethoxy4propoxybenzylidene)13oxazol5(4H)one
(Z)2(4chloro3nitrophenyl)4(3ethoxy4propoxybenzylidene)oxazol5(4H)one
CCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))OCC
CCCOc1ccc(cc1OCC)C=C1N=C(OC1=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC21H19ClN2O6c13929188513(1119(18)2842)101621(25)3020(2316)146715(22)17(1214)24(26)27h581012H349H212H3b1610
MFCD01054494
ZINC000001742089
ZINC01742089
ZINC1742089

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Available files

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