Vitas-M small molecule compound

2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl 5-[(4-nitrophenyl)amino]-5-oxopentanoate

Catalog ID
STK265487
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CCCC(=O)OCC(=O)Nc1ccc(c(c1)Cl)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 C20H20ClN3O6 MW 433.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O6/c1-13-5-6-15(11-17(13)21)23-19(26)12-30-20(27)4-2-3-18(25)22-14-7-9-16(10-8-14)24(28)29/h5-11H,2-4,12H2,1H3,(H,22,25)(H,23,26)
InChIKey
RRODCAGCVAAXIN-UHFFFAOYSA-N
Synonyms

(2(3chloro4methylanilino)2oxoethyl)5(4nitroanilino)5oxopentanoate
2((3chloro4methylphenyl)amino)2oxoethyl5((4nitrophenyl)amino)5oxopentanoate
CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))Cl
InChI=1SC20H20ClN3O6c1135615(1117(13)21)2319(26)123020(27)42318(25)22147916(10814)24(28)29h511H2412H21H3(H2225)(H2326)
MFCD06756178
O=C(Nc1ccc(cc1)(N+)(=O)(O))CCCC(=O)OCC(=O)Nc1ccc(c(c1)Cl)C
ZINC000009525768
ZINC09525768
ZINC9525768

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Available files

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