Vitas-M small molecule compound
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one
Catalog ID
STL071437
SMILES CN1CCN(CC1)C(=O)Cn1nc(c2cccc(c2)[N+](=O)[O-])c2c(c1=O)cccc2
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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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-23-9-11-24(12-10-23)19(27)14-25-21(28)18-8-3-2-7-17(18)20(22-25)15-5-4-6-16(13-15)26(29)30/h2-8,13H,9-12,14H2,1H3InChIKey
ROHZGOWWHJTBGE-UHFFFAOYSA-NSynonyms
713091-72-62(2(4methylpiperazin1yl)2oxoethyl)4(3nitrophenyl)phthalazin1(2H)one
2(2(4METHYLPIPERAZIN1YL)2OXOETHYL)4(3NITROPHENYL)PHTHALAZIN1ONE
713091726
CN1CCN(CC1)C(=O)Cn1nc(c2cccc(c2)(N+)(=O)(O))c2c(c1=O)cccc2
CN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H21N5O4c12391124(121023)19(27)142521(28)18832717(18)20(2225)1554616(1315)26(29)30h2813H91214H21H3
MFCD05701671
ZINC000020502437
ZINC20502437
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