Vitas-M small molecule compound

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

Catalog ID
STK175363
SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)[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 C32H26ClN5O5 MW 596.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26ClN5O5/c1-43-25-13-8-22(9-14-25)31(39)36-18-16-35(17-19-36)24-12-15-28(38(41)42)29(20-24)37-32(40)27-5-3-2-4-26(27)30(34-37)21-6-10-23(33)11-7-21/h2-15,20H,16-19H2,1H3
InChIKey
NERYSCIPMLJTAW-UHFFFAOYSA-N
Synonyms

4(4CHLOROPHENYL)2(5(4((4METHOXYPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4(4CHLOROPHENYL)2(5(4(4METHOXYBENZOYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=C(C=C6)Cl
COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC32H26ClN5O5c1432513822(91425)31(39)36181635(171936)24121528(38(41)42)29(2024)3732(40)27532426(27)30(3437)2161023(33)11721h21520H1619H21H3
MFCD04082629
ZINC000097959884
ZINC97959884

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Available files

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