Vitas-M small molecule compound

4-methyl-2-{2-nitro-5-[4-(phenylacetyl)piperazin-1-yl]phenyl}phthalazin-1(2H)-one

Catalog ID
STK175345
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)[N+](=O)[O-])Cc1ccccc1

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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/c1-19-22-9-5-6-10-23(22)27(34)31(28-19)25-18-21(11-12-24(25)32(35)36)29-13-15-30(16-14-29)26(33)17-20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
InChIKey
UUEGDPKPLVESHV-UHFFFAOYSA-N
Synonyms

4METHYL2(2NITRO5(4(2PHENYLACETYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1ONE
4METHYL2(2NITRO5(4(PHENYLACETYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)CC5=CC=CC=C5)(N+)(=O)(O)
InChI=1SC27H25N5O4c119229561023(22)27(34)31(2819)251821(111224(25)32(35)36)29131530(161429)26(33)17207324820h21218H1317H21H3
MFCD04075614
O=C(N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O))Cc1ccccc1
ZINC000009892477
ZINC09892477
ZINC9892477

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Available files

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