Vitas-M small molecule compound
2-{2-nitro-5-[4-(phenylacetyl)piperazin-1-yl]phenyl}-4-phenylphthalazin-1(2H)-one
Catalog ID
STK175346
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)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 C32H27N5O4 MW 545.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O4/c38-30(21-23-9-3-1-4-10-23)35-19-17-34(18-20-35)25-15-16-28(37(40)41)29(22-25)36-32(39)27-14-8-7-13-26(27)31(33-36)24-11-5-2-6-12-24/h1-16,22H,17-21H2InChIKey
CQMOOCQJBQHARY-UHFFFAOYSA-NSynonyms
2(2NITRO5(4(2PHENYLACETYL)PIPERAZIN1YL)PHENYL)4PHENYLPHTHALAZIN1ONE
2(2NITRO5(4(PHENYLACETYL)PIPERAZIN1YL)PHENYL)4PHENYLPHTHALAZIN1(2H)ONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)CC6=CC=CC=C6
InChI=1SC32H27N5O4c3830(212393141023)35191734(182035)25151628(37(40)41)29(2225)3632(39)2714871326(27)31(3336)24115261224h11622H1721H2
MFCD04079550
O=C(N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccccc2)c2c(c1=O)cccc2)(N+)(=O)(O))Cc1ccccc1
ZINC000029491204
ZINC29491204
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