Vitas-M small molecule compound
4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Catalog ID
STK094270
SMILES [O-][N+](=O)c1ccc(cc1n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)N1CCCCC1
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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 C27H26N4O3 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3/c1-18-10-11-20(16-19(18)2)26-22-8-4-5-9-23(22)27(32)30(28-26)25-17-21(12-13-24(25)31(33)34)29-14-6-3-7-15-29/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3InChIKey
ZGSHMNLPCPPSBH-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)N1CCCCC1
4(34DIMETHYLPHENYL)2(2NITRO5(PIPERIDIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
4(34DIMETHYLPHENYL)2(2NITRO5PIPERIDIN1YLPHENYL)PHTHALAZIN1ONE
CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCCC5)(N+)(=O)(O))C
InChI=1SC27H26N4O3c118101120(1619(18)2)2622845923(22)27(32)30(2826)251721(121324(25)31(33)34)29146371529h458131617H3671415H212H3
MFCD00607555
STK094270
ZINC000008817693
ZINC08817693
ZINC8817693
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