Vitas-M small molecule compound
4-methyl-2-(5-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)phthalazin-1(2H)-one
Catalog ID
STK172405
SMILES Cc1ccccc1C(=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/c1-18-7-3-4-8-21(18)26(33)30-15-13-29(14-16-30)20-11-12-24(32(35)36)25(17-20)31-27(34)23-10-6-5-9-22(23)19(2)28-31/h3-12,17H,13-16H2,1-2H3InChIKey
MNSFNHOBNUEEBT-UHFFFAOYSA-NSynonyms
4METHYL2(5(4((2METHYLPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4METHYL2(5(4(2METHYLBENZOYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4C(=O)C5=CC=CC=C5C(=N4)C
Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC27H25N5O4c118734821(18)26(33)30151329(141630)20111224(32(35)36)25(1720)3127(34)231065922(23)19(2)2831h31217H1316H212H3
MFCD04386051
ZINC000009891987
ZINC09891987
ZINC9891987
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