Vitas-M small molecule compound

2-{(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-nitrobenzoate

Catalog ID
STK761029
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1ccccc1/C=C/1\N=C(OC1=O)c1ccc(cc1)C(C)(C)C

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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 C27H22N2O6 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6/c1-27(2,3)20-12-8-17(9-13-20)24-28-22(26(31)35-24)16-19-6-4-5-7-23(19)34-25(30)18-10-14-21(15-11-18)29(32)33/h4-16H,1-3H3/b22-16-
InChIKey
HJCANLHSJXNDHQ-JWGURIENSA-N
Synonyms

(2((Z)(2(4TERTBUTYLPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)4NITROBENZOATE
2((Z)(2(4tertbutylphenyl)5oxo13oxazol4(5H)ylidene)methyl)phenyl4nitrobenzoate
CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)O2
InChI=1SC27H22N2O6c127(23)2012817(91320)242822(26(31)3524)1619645723(19)3425(30)18101421(151118)29(32)33h416H13H3b2216
MFCD01050096
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1ccccc1C=C1N=C(OC1=O)c1ccc(cc1)C(C)(C)C
ZINC000008854678
ZINC08854678
ZINC8854678

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Available files

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