Vitas-M small molecule compound

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

Catalog ID
STK055474
SMILES [O-][N+](=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)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 C20H21N5O5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S/c1-14-16-5-3-4-6-17(16)20(26)24(21-14)19-13-15(7-8-18(19)25(27)28)22-9-11-23(12-10-22)31(2,29)30/h3-8,13H,9-12H2,1-2H3
InChIKey
CQJYBOYFQOSIOX-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)N1CCN(CC1)S(=O)(=O)C
4METHYL2(5(4(METHYLSULFONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4METHYL2(5(4METHYLSULFONYLPIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C)(N+)(=O)(O)
InChI=1SC20H21N5O5Sc11416534617(16)20(26)24(2114)191315(7818(19)25(27)28)2291123(121022)31(229)30h3813H912H212H3
MFCD03306509
STK055474
ZINC000004172290
ZINC04172290
ZINC4172290

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Available files

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