Vitas-M small molecule compound

methyl 2-(morpholin-4-yl)-5-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}benzoate

Catalog ID
STK188692
SMILES COC(=O)c1cc(ccc1N1CCOCC1)NC(=O)/C=C/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 C21H21N3O6 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6/c1-29-21(26)18-14-16(6-7-19(18)23-9-11-30-12-10-23)22-20(25)8-5-15-3-2-4-17(13-15)24(27)28/h2-8,13-14H,9-12H2,1H3,(H,22,25)/b8-5+
InChIKey
DYHWWXVMLMNLRQ-VMPITWQZSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O))N3CCOCC3
COC(=O)c1cc(ccc1N1CCOCC1)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC21H21N3O6c12921(26)181416(6719(18)2391130121023)2220(25)851532417(1315)24(27)28h281314H912H21H3(H2225)b85+
METHYL2(MORPHOLIN4YL)5(((2E)3(3NITROPHENYL)PROP2ENOYL)AMINO)BENZOATE
METHYL2MORPHOLIN4YL5(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)BENZOATE
MFCD06664791
ZINC000004711518
ZINC04711518
ZINC4711518

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Available files

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