Vitas-M small molecule compound

3-({5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitrophenyl}amino)phenol

Catalog ID
STK838447
SMILES Oc1cccc(c1)Nc1cc(N2CCN(CC2)c2ccccc2Cl)c(cc1[N+](=O)[O-])[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 C22H20ClN5O5 MW 469.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O5/c23-17-6-1-2-7-19(17)25-8-10-26(11-9-25)21-13-18(24-15-4-3-5-16(29)12-15)20(27(30)31)14-22(21)28(32)33/h1-7,12-14,24,29H,8-11H2
InChIKey
JRNPGXNPBFKLBE-UHFFFAOYSA-N
Synonyms

3((5(4(2chlorophenyl)piperazin1yl)24dinitrophenyl)amino)phenol
3(5(4(2CHLOROPHENYL)PIPERAZIN1YL)24DINITROANILINO)PHENOL
C1CN(CCN1C2=CC=CC=C2Cl)C3=CC(=C(C=C3(N+)(=O)(O))(N+)(=O)(O))NC4=CC(=CC=C4)O
InChI=1SC22H20ClN5O5c2317612719(17)2581026(11925)211318(241543516(29)1215)20(27(30)31)1422(21)28(32)33h1712142429H811H2
MFCD01306973
Oc1cccc(c1)Nc1cc(N2CCN(CC2)c2ccccc2Cl)c(cc1(N+)(=O)(O))(N+)(=O)(O)
ZINC000003880492
ZINC03880492
ZINC3880492

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Available files

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