Vitas-M small molecule compound

2-{5-[4-(benzylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one

Catalog ID
STK157757
SMILES Cc1nn(c2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)Cc2ccccc2)c(=O)c2c1cccc2

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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 C26H25N5O5S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O5S/c1-19-22-9-5-6-10-23(22)26(32)30(27-19)25-17-21(11-12-24(25)31(33)34)28-13-15-29(16-14-28)37(35,36)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3
InChIKey
KXFWLQHXRHHDCT-UHFFFAOYSA-N
Synonyms
591736-38-8
2(5(4(BENZYLSULFONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(4BENZYLSULFONYLPIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
591736388
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)(N+)(=O)(O)
Cc1nn(c2cc(ccc2(N+)(=O)(O))N2CCN(CC2)S(=O)(=O)Cc2ccccc2)c(=O)c2c1cccc2
InChI=1SC26H25N5O5Sc119229561023(22)26(32)30(2719)251721(111224(25)31(33)34)28131529(161428)37(3536)18207324820h21217H131618H21H3
MFCD03684409
ZINC000009211007
ZINC09211007
ZINC9211007

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Available files

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