Vitas-M small molecule compound

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

Catalog ID
STK157999
SMILES Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)C

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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/c1-18-7-9-19(10-8-18)25-21-5-3-4-6-22(21)26(32)30(27-25)24-17-20(11-12-23(24)31(33)34)28-13-15-29(16-14-28)37(2,35)36/h3-12,17H,13-16H2,1-2H3
InChIKey
BUROKEMPVIWYDG-UHFFFAOYSA-N
Synonyms
591726-50-0
2(5(4(methylsulfonyl)piperazin1yl)2nitrophenyl)4(ptolyl)phthalazin1(2H)one
4(4METHYLPHENYL)2(5(4(METHYLSULFONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4(4METHYLPHENYL)2(5(4METHYLSULFONYLPIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
591726500
CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C)(N+)(=O)(O)
Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)C
InChI=1SC26H25N5O5Sc1187919(10818)2521534622(21)26(32)30(2725)241720(111223(24)31(33)34)28131529(161428)37(235)36h31217H1316H212H3
MFCD03689837
ZINC000009046637
ZINC09046637
ZINC9046637

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Available files

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