Vitas-M small molecule compound

[4-(2-chloro-6-nitrophenyl)piperazin-1-yl](4-ethoxy-3-nitrophenyl)methanone

Catalog ID
STK087826
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-]

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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 C19H19ClN4O6 MW 434.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN4O6/c1-2-30-17-7-6-13(12-16(17)24(28)29)19(25)22-10-8-21(9-11-22)18-14(20)4-3-5-15(18)23(26)27/h3-7,12H,2,8-11H2,1H3
InChIKey
FRXCINNZZQEFGW-UHFFFAOYSA-N
Synonyms

(4(2CHLORO6NITROPHENYL)PIPERAZIN1YL)(4ETHOXY3NITROPHENYL)METHANONE
CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)(N+)(=O)(O))(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)N1CCN(CC1)c1c(Cl)cccc1(N+)(=O)(O)
InChI=1SC19H19ClN4O6c1230177613(1216(17)24(28)29)19(25)2210821(91122)1814(20)43515(18)23(26)27h3712H2811H21H3
MFCD02627891
STK087826
ZINC000009680388
ZINC09680388
ZINC9680388

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Available files

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