Vitas-M small molecule compound

2-(5-{4-[(2-methoxyphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one

Catalog ID
STK198654
SMILES COc1ccccc1C(=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 C27H25N5O5 MW 499.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5/c1-18-20-7-3-4-8-21(20)27(34)31(28-18)24-17-19(11-12-23(24)32(35)36)29-13-15-30(16-14-29)26(33)22-9-5-6-10-25(22)37-2/h3-12,17H,13-16H2,1-2H3
InChIKey
UDULKOGHGWBUPW-UHFFFAOYSA-N
Synonyms

2(5(4((2METHOXYPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(4(2METHOXYBENZOYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5OC)(N+)(=O)(O)
COc1ccccc1C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC27H25N5O5c11820734821(20)27(34)31(2818)241719(111223(24)32(35)36)29131530(161429)26(33)229561025(22)372h31217H1316H212H3
MFCD05826423
ZINC000009934615
ZINC09934615
ZINC9934615

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Available files

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