Vitas-M small molecule compound

4-(4-chlorophenyl)-2-(5-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)phthalazin-1(2H)-one

Catalog ID
STK171839
SMILES Clc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccccc1C

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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 C32H26ClN5O4 MW 580.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26ClN5O4/c1-21-6-2-3-7-25(21)31(39)36-18-16-35(17-19-36)24-14-15-28(38(41)42)29(20-24)37-32(40)27-9-5-4-8-26(27)30(34-37)22-10-12-23(33)13-11-22/h2-15,20H,16-19H2,1H3
InChIKey
HQQSPWYMJXNJLC-UHFFFAOYSA-N
Synonyms

4(4CHLOROPHENYL)2(5(4((2METHYLPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4(4CHLOROPHENYL)2(5(4(2METHYLBENZOYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccccc1C
InChI=1SC32H26ClN5O4c121623725(21)31(39)36181635(171936)24141528(38(41)42)29(2024)3732(40)27954826(27)30(3437)22101223(33)131122h21520H1619H21H3
MFCD04080442
ZINC000029492779
ZINC29492779

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Available files

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