Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 4-(cyclohexylamino)-4-oxobutanoate

Catalog ID
STK257826
SMILES O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CCC(=O)NC1CCCCC1

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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 C18H22N2O6 MW 362.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O6/c21-16(13-5-4-8-15(11-13)20(24)25)12-26-18(23)10-9-17(22)19-14-6-2-1-3-7-14/h4-5,8,11,14H,1-3,6-7,9-10,12H2,(H,19,22)
InChIKey
PTHPHXTVFDPNIN-UHFFFAOYSA-N
Synonyms
524929-72-4
(2(3NITROPHENYL)2OXIDANYLIDENEETHYL)4(CYCLOHEXYLAMINO)4OXIDANYLIDENEBUTANOATE
(2(3NITROPHENYL)2OXOETHYL)4(CYCLOHEXYLAMINO)4OXOBUTANOATE
2(3nitrophenyl)2oxoethyl4(cyclohexylamino)4oxobutanoate
4(CYCLOHEXYLAMINO)4KETOBUTYRICACID(2KETO2(3NITROPHENYL)ETHYL)ESTER
4(CYCLOHEXYLAMINO)4OXOBUTANOICACID(2(3NITROPHENYL)2OXOETHYL)ESTER
524929724
C1CCC(CC1)NC(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC18H22N2O6c2116(1354815(1113)20(24)25)122618(23)10917(22)19146213714h4581114H136791012H2(H1922)
MFCD03186896
NCYCLOHEXYLSUCCINAMICACID2(3NITROPHENYL)2OXOETHYLESTER
O=C(OCC(=O)c1cccc(c1)(N+)(=O)(O))CCC(=O)NC1CCCCC1
ZINC000005066490
ZINC05066490
ZINC5066490

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.