Vitas-M small molecule compound
4-(2,5-dimethylphenyl)-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Catalog ID
STK068236
SMILES Cc1ccc(c(c1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCCC1)C
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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 C26H24N4O3 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3/c1-17-9-10-18(2)22(15-17)25-20-7-3-4-8-21(20)26(31)29(27-25)24-16-19(28-13-5-6-14-28)11-12-23(24)30(32)33/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3InChIKey
LSNOJFBQBYYCJZ-UHFFFAOYSA-NSynonyms
4(25DIMETHYLPHENYL)2(2NITRO5(PYRROLIDIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
4(25DIMETHYLPHENYL)2(2NITRO5PYRROLIDIN1YLPHENYL)PHTHALAZIN1ONE
CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCC5)(N+)(=O)(O)
Cc1ccc(c(c1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCCC1)C
InChI=1SC26H24N4O3c11791018(2)22(1517)2520734821(20)26(31)29(2725)241619(2813561428)111223(24)30(32)33h347121516H561314H212H3
MFCD00607417
STK068236
ZINC000009043846
ZINC09043846
ZINC9043846
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