Vitas-M small molecule compound

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

Catalog ID
STK154789
SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)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 C31H24FN5O4 MW 549.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24FN5O4/c32-23-12-10-22(11-13-23)30(38)35-18-16-34(17-19-35)24-14-15-27(37(40)41)28(20-24)36-31(39)26-9-5-4-8-25(26)29(33-36)21-6-2-1-3-7-21/h1-15,20H,16-19H2
InChIKey
REWFHPAQWHRRQY-UHFFFAOYSA-N
Synonyms
597545-68-1
2(5(4((4FLUOROPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1(2H)ONE
2(5(4(4fluorobenzoyl)piperazin1yl)2nitrophenyl)4phenylphthalazin1(2H)one
2(5(4(4FLUOROBENZOYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1ONE
597545681
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)F
Fc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC31H24FN5O4c3223121022(111323)30(38)35181634(171935)24141527(37(40)41)28(2024)3631(39)26954825(26)29(3336)216213721h11520H1619H2
MFCD03923675
ZINC000029501030
ZINC29501030

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.