Vitas-M small molecule compound

2-ethoxy-4-{(Z)-[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl butanoate

Catalog ID
STK545321
SMILES CCCC(=O)Oc1ccc(cc1OCC)/C=C/1\N=C(OC1=O)c1cccc(c1)[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 C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c1-3-6-20(25)30-18-10-9-14(12-19(18)29-4-2)11-17-22(26)31-21(23-17)15-7-5-8-16(13-15)24(27)28/h5,7-13H,3-4,6H2,1-2H3/b17-11-
InChIKey
HETBVEDCILNKKN-BOPFTXTBSA-N
Synonyms

(2ETHOXY4((Z)(2(3NITROPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)BUTANOATE
(Z)2ethoxy4((2(3nitrophenyl)5oxooxazol4(5H)ylidene)methyl)phenylbutyrate
2ethoxy4((Z)(2(3nitrophenyl)5oxo13oxazol4(5H)ylidene)methyl)phenylbutanoate
CCCC(=O)OC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)(N+)(=O)(O))OCC
CCCC(=O)Oc1ccc(cc1OCC)C=C1N=C(OC1=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H20N2O7c13620(25)301810914(1219(18)2942)111722(26)3121(2317)1575816(1315)24(27)28h5713H346H212H3b1711
MFCD01170023
ZINC000002302907
ZINC02302907
ZINC2302907

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Available files

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