Vitas-M small molecule compound

2-(5-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-phenylphthalazin-1(2H)-one

Catalog ID
STK157736
SMILES Cc1cccc(c1)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 C32H27N5O4 MW 545.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O4/c1-22-8-7-11-24(20-22)31(38)35-18-16-34(17-19-35)25-14-15-28(37(40)41)29(21-25)36-32(39)27-13-6-5-12-26(27)30(33-36)23-9-3-2-4-10-23/h2-15,20-21H,16-19H2,1H3
InChIKey
VYFOGSOJJPXOGS-UHFFFAOYSA-N
Synonyms
591736-17-3
2(5(4((3METHYLPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1(2H)ONE
2(5(4(3methylbenzoyl)piperazin1yl)2nitrophenyl)4phenylphthalazin1(2H)one
2(5(4(3METHYLBENZOYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1ONE
591736173
CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6
Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC32H27N5O4c122871124(2022)31(38)35181634(171935)25141528(37(40)41)29(2125)3632(39)2713651226(27)30(3336)2393241023h2152021H1619H21H3
MFCD03691109
ZINC000029492447
ZINC29492447

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Available files

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