Vitas-M small molecule compound

2-ethoxy-4-[(E)-{2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinylidene}methyl]phenyl 4-nitrobenzoate

Catalog ID
STK756949
SMILES CCOc1cc(/C=N/NC(=O)c2c(C)onc2c2ccccc2)ccc1OC(=O)c1ccc(cc1)[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 C27H22N4O7 MW 514.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O7/c1-3-36-23-15-18(9-14-22(23)37-27(33)20-10-12-21(13-11-20)31(34)35)16-28-29-26(32)24-17(2)38-30-25(24)19-7-5-4-6-8-19/h4-16H,3H2,1-2H3,(H,29,32)/b28-16+
InChIKey
YPJRMTBGRUNZPK-LQKURTRISA-N
Synonyms

(2ethoxy4((E)((5methyl3phenyl12oxazole4carbonyl)hydrazinylidene)methyl)phenyl)4nitrobenzoate
2ethoxy4((E)(2((5methyl3phenyl12oxazol4yl)carbonyl)hydrazinylidene)methyl)phenyl4nitrobenzoate
4((1E)2((5METHYL3PHENYLISOXAZOL4YL)CARBONYLAMINO)2AZAVINYL)2ETHOXYPHENYL4NITROBENZOATE
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(C=NNC(=O)c2c(C)onc2c2ccccc2)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H22N4O7c1336231518(91422(23)3727(33)20101221(131120)31(34)35)16282926(32)2417(2)383025(24)197546819h416H3H212H3(H2932)b2816+
MFCD01239483
ZINC000003664596
ZINC34714385

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Available files

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