Vitas-M small molecule compound
4-methyl-2-(5-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)phthalazin-1(2H)-one
Catalog ID
STK150443
SMILES Cc1cccc(c1)C(=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 C27H25N5O4 MW 483.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O4/c1-18-6-5-7-20(16-18)26(33)30-14-12-29(13-15-30)21-10-11-24(32(35)36)25(17-21)31-27(34)23-9-4-3-8-22(23)19(2)28-31/h3-11,16-17H,12-15H2,1-2H3InChIKey
SSKJGDNLFUOSAE-UHFFFAOYSA-NSynonyms
4METHYL2(5(4((3METHYLPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4METHYL2(5(4(3METHYLBENZOYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4C(=O)C5=CC=CC=C5C(=N4)C
Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC27H25N5O4c11865720(1618)26(33)30141229(131530)21101124(32(35)36)25(1721)3127(34)23943822(23)19(2)2831h3111617H1215H212H3
MFCD03614885
ZINC000004003873
ZINC04003873
ZINC4003873
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