Vitas-M small molecule compound

ethyl (2E)-2-(1-{[2-hydroxy-2-(4-nitrophenyl)ethyl]amino}ethylidene)pent-4-enoate

Catalog ID
STL325506
SMILES CCOC(=O)/C(=C(/NCC(c1ccc(cc1)[N+](=O)[O-])O)\C)/CC=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 C17H22N2O5 MW 334.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O5/c1-4-6-15(17(21)24-5-2)12(3)18-11-16(20)13-7-9-14(10-8-13)19(22)23/h4,7-10,16,18,20H,1,5-6,11H2,2-3H3/b15-12+
InChIKey
UELKOYROEQTTNW-NTCAYCPXSA-N
Synonyms
371958-13-3
(E)ethyl2(1((2hydroxy2(4nitrophenyl)ethyl)amino)ethylidene)pent4enoate
371958133
CCOC(=O)C(=C(C)NCC(C1=CC=C(C=C1)(N+)(=O)(O))O)CC=C
CCOC(=O)C(=C(NCC(c1ccc(cc1)(N+)(=O)(O))O)C)CC=C
ethyl(2E)2(1((2hydroxy2(4nitrophenyl)ethyl)amino)ethylidene)pent4enoate
InChI=1SC17H22N2O5c14615(17(21)2452)12(3)181116(20)137914(10813)19(22)23h4710161820H15611H223H3b1512+
MFCD01085621
ZINC000019642876
ZINC000019642880

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Available files

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