Vitas-M small molecule compound
2-{5-[4-(ethylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Catalog ID
STK157695
SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)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 C21H23N5O5S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5S/c1-3-32(30,31)24-12-10-23(11-13-24)16-8-9-19(26(28)29)20(14-16)25-21(27)18-7-5-4-6-17(18)15(2)22-25/h4-9,14H,3,10-13H2,1-2H3InChIKey
FBCFKOBBOJCNDP-UHFFFAOYSA-NSynonyms
642430-68-02(5(4(ETHYLSULFONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(4ETHYLSULFONYLPIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
642430680
CCS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C
InChI=1SC21H23N5O5Sc1332(3031)24121023(111324)168919(26(28)29)20(1416)2521(27)18754617(18)15(2)2225h4914H31013H212H3
MFCD03694539
ZINC000009071915
ZINC09071915
ZINC9071915
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