Vitas-M small molecule compound

benzyl (2Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-3-(3-nitrophenyl)prop-2-enoate

Catalog ID
STK381970
SMILES O=C(/C(=C/c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(cc1)C(C)(C)C)OCc1ccccc1

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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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-27(2,3)22-14-12-21(13-15-22)25(30)28-24(17-20-10-7-11-23(16-20)29(32)33)26(31)34-18-19-8-5-4-6-9-19/h4-17H,18H2,1-3H3,(H,28,30)/b24-17-
InChIKey
DPKIBJQKULTZFP-ULJHMMPZSA-N
Synonyms

benzyl(2Z)2(((4tertbutylphenyl)carbonyl)amino)3(3nitrophenyl)prop2enoate
benzyl(Z)2((4tertbutylbenzoyl)amino)3(3nitrophenyl)prop2enoate
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC3=CC=CC=C3
InChI=1SC27H26N2O5c127(23)22141221(131522)25(30)2824(17201071123(1620)29(32)33)26(31)3418198546919h417H18H213H3(H2830)b2417
MFCD03273741
O=C(C(=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccc(cc1)C(C)(C)C)OCc1ccccc1
ZINC000015944873
ZINC15944873

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Available files

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