Vitas-M small molecule compound

N-{(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}leucine

Catalog ID
STL297540
SMILES CC(CC(C(=O)O)NC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1)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 C22H23N3O6 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6/c1-14(2)11-19(22(28)29)24-21(27)18(23-20(26)16-8-4-3-5-9-16)13-15-7-6-10-17(12-15)25(30)31/h3-10,12-14,19H,11H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)/b18-13+
InChIKey
OAZZMOWQUNORBD-QGOAFFKASA-N
Synonyms

(E)2(2benzamido3(3nitrophenyl)acrylamido)4methylpentanoicacid
2(((E)2BENZAMIDO3(3NITROPHENYL)PROP2ENOYL)AMINO)4METHYLPENTANOICACID
CC(C)CC(C(=O)O)NC(=O)C(=CC1=CC(=CC=C1)(N+)(=O)(O))NC(=O)C2=CC=CC=C2
CC(CC(C(=O)O)NC(=O)C(=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccccc1)C
InChI=1SC22H23N3O6c114(2)1119(22(28)29)2421(27)18(2320(26)168435916)1315761017(1215)25(30)31h310121419H11H212H3(H2326)(H2427)(H2829)b1813+
MFCD00699052
N((2E)3(3nitrophenyl)2((phenylcarbonyl)amino)prop2enoyl)leucine
ZINC000008926024
ZINC000008926025

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Available files

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