Vitas-M small molecule compound
4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]phthalazin-1(2H)-one
Catalog ID
STK157526
SMILES [O-][N+](=O)c1ccc(cc1n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)N1CCNCC1
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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 C26H25N5O3 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3/c1-17-7-8-19(15-18(17)2)25-21-5-3-4-6-22(21)26(32)30(28-25)24-16-20(9-10-23(24)31(33)34)29-13-11-27-12-14-29/h3-10,15-16,27H,11-14H2,1-2H3InChIKey
FTNQRMOHYFMJRH-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)N1CCNCC1
4(34DIMETHYLPHENYL)2(2NITRO5(1PIPERAZINYL)PHENYL)1(2H)PHTHALAZINONE
4(34DIMETHYLPHENYL)2(2NITRO5(PIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
4(34DIMETHYLPHENYL)2(2NITRO5PIPERAZIN1YLPHENYL)PHTHALAZIN1ONE
4(34DIMETHYLPHENYL)2(2NITRO5PIPERAZINYLPHENYL)2HYDROPHTHALAZIN1ONE
CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCNCC5)(N+)(=O)(O))C
InChI=1SC26H25N5O3c1177819(1518(17)2)2521534622(21)26(32)30(2825)241620(91023(24)31(33)34)29131127121429h310151627H1114H212H3
MFCD03719637
ZINC000009721080
ZINC9721080
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