Vitas-M small molecule compound

ethyl 4-[(4-chloro-3-nitrophenyl)amino]-4-oxobutanoate

Catalog ID
STK013549
SMILES CCOC(=O)CCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl

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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 C12H13ClN2O5 MW 300.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN2O5/c1-2-20-12(17)6-5-11(16)14-8-3-4-9(13)10(7-8)15(18)19/h3-4,7H,2,5-6H2,1H3,(H,14,16)
InChIKey
BBHYSQUKBGECNL-UHFFFAOYSA-N
Synonyms
356550-59-9
356550599
CCOC(=O)CCC(=O)NC1=CC(=C(C=C1)Cl)(N+)(=O)(O)
CCOC(=O)CCC(=O)Nc1ccc(c(c1)(N+)(=O)(O))Cl
ETHYL3(N(4CHLORO3NITROPHENYL)CARBAMOYL)PROPANOATE
ETHYL4((4CHLORO3NITROPHENYL)AMINO)4OXOBUTANOATE
ETHYL4(4CHLORO3NITROANILINO)4OXOBUTANOATE
InChI=1SC12H13ClN2O5c122012(17)6511(16)148349(13)10(78)15(18)19h347H256H21H3(H1416)
MFCD02655599
STK013549
ZINC000002134159
ZINC02134159
ZINC2134159

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Available files

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