Vitas-M small molecule compound
4-{4-[(4-methoxyphenyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one
Catalog ID
STK843152
SMILES COc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])c1n[nH]c(=O)c2c1cccc2
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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 C21H16N4O4 MW 388.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4/c1-29-15-9-7-14(8-10-15)22-18-11-6-13(12-19(18)25(27)28)20-16-4-2-3-5-17(16)21(26)24-23-20/h2-12,22H,1H3,(H,24,26)InChIKey
RPDFTFDPQFGTDS-UHFFFAOYSA-NSynonyms
692279-56-44(4((4methoxyphenyl)amino)3nitrophenyl)phthalazin1(2H)one
4(4(4METHOXYANILINO)3NITROPHENYL)2HPHTHALAZIN1ONE
692279564
COC1=CC=C(C=C1)NC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)(N+)(=O)(O)
COc1ccc(cc1)Nc1ccc(cc1(N+)(=O)(O))c1n(nH)c(=O)c2c1cccc2
InChI=1SC21H16N4O4c129159714(81015)221811613(1219(18)25(27)28)2016423517(16)21(26)242320h21222H1H3(H2426)
MFCD03662888
ZINC000004950906
ZINC04950906
ZINC4950906
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