Vitas-M small molecule compound
4-(3,4-dimethylphenyl)-2-[4-methyl-1-(4-nitrophenyl)piperazin-2-yl]phthalazin-1(2H)-one
Catalog ID
STK682297
SMILES CN1CCN(C(C1)n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)c1ccc(cc1)[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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-18-8-9-20(16-19(18)2)26-23-6-4-5-7-24(23)27(33)31(28-26)25-17-29(3)14-15-30(25)21-10-12-22(13-11-21)32(34)35/h4-13,16,25H,14-15,17H2,1-3H3InChIKey
PMZKWCILKCTREQ-UHFFFAOYSA-NSynonyms
4(34DIMETHYLPHENYL)2(4METHYL1(4NITROPHENYL)PIPERAZIN2YL)2HYDROPHTHALAZIN1ONE
4(34dimethylphenyl)2(4methyl1(4nitrophenyl)piperazin2yl)phthalazin1(2H)one
4(34DIMETHYLPHENYL)2(4METHYL1(4NITROPHENYL)PIPERAZIN2YL)PHTHALAZIN1ONE
CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4CN(CCN4C5=CC=C(C=C5)(N+)(=O)(O))C)C
CN1CCN(C(C1)n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H27N5O3c1188920(1619(18)2)2623645724(23)27(33)31(2826)251729(3)141530(25)21101222(131121)32(34)35h4131625H141517H213H3
MFCD03855235
ZINC000008892104
ZINC000008892105
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