Vitas-M small molecule compound

1,5-dimethyl-4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK833732
SMILES [O-][N+](=O)c1c(Nc2c(C)n(n(c2=O)c2ccccc2)C)cc(c2c1non2)N1CCOCC1

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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 C21H21N7O5 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7O5/c1-13-17(21(29)27(25(13)2)14-6-4-3-5-7-14)22-15-12-16(26-8-10-32-11-9-26)18-19(24-33-23-18)20(15)28(30)31/h3-7,12,22H,8-11H2,1-2H3
InChIKey
RIPPNTHVYJJIIZ-UHFFFAOYSA-N
Synonyms
353507-41-2
(O)(N+)(=O)c1c(Nc2c(C)n(n(c2=O)c2ccccc2)C)cc(c2c1non2)N1CCOCC1
15DIMETHYL4((7(4MORPHOLINYL)4NITRO213BENZOXADIAZOL5YL)AMINO)2PHENYL12DIHYDRO3HPYRAZOL3ONE
15dimethyl4((7(morpholin4yl)4nitro213benzoxadiazol5yl)amino)2phenyl12dihydro3Hpyrazol3one
15DIMETHYL4((7MORPHOLIN4YL4NITRO213BENZOXADIAZOL5YL)AMINO)2PHENYLPYRAZOL3ONE
15dimethyl4((7morpholino4nitrobenzo(c)(125)oxadiazol5yl)amino)2phenyl1Hpyrazol3(2H)one
353507412
4((4NITRO7(4MORPHOLINYL)213BENZOXADIAZOL5YL)AMINO)15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N5CCOCC5)(N+)(=O)(O)
InChI=1SC21H21N7O5c11317(21(29)27(25(13)2)146435714)22151216(268103211926)1819(24332318)20(15)28(30)31h371222H811H212H3
MFCD01954759
ZINC000008444451
ZINC08444451
ZINC8444451

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Available files

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