Vitas-M small molecule compound

ethyl 4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}-3-nitrobenzoate

Catalog ID
STK231641
SMILES CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc(cc1)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 C20H20ClN3O5 MW 417.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O5/c1-2-29-20(26)15-5-8-17(18(13-15)24(27)28)22-9-11-23(12-10-22)19(25)14-3-6-16(21)7-4-14/h3-8,13H,2,9-12H2,1H3
InChIKey
SZWSESUNDJCNKE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)(N+)(=O)(O)
CCOC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccc(cc1)Cl
ethyl4(4((4chlorophenyl)carbonyl)piperazin1yl)3nitrobenzoate
ETHYL4(4(4CHLOROBENZOYL)PIPERAZIN1YL)3NITROBENZOATE
InChI=1SC20H20ClN3O5c122920(26)155817(18(1315)24(27)28)2291123(121022)19(25)143616(21)7414h3813H2912H21H3
MFCD08677804
ZINC000004736787
ZINC04736787
ZINC4736787

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Available files

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