Vitas-M small molecule compound

(4Z)-2-(3-bromophenyl)-4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK958971
SMILES Brc1cccc(c1)N1N=C(/C(=C/c2c(C)nn(c2Cl)c2ccccc2)/C1=O)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 C21H16BrClN4O MW 455.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrClN4O/c1-13-18(20(23)26(24-13)16-8-4-3-5-9-16)12-19-14(2)25-27(21(19)28)17-10-6-7-15(22)11-17/h3-12H,1-2H3/b19-12-
InChIKey
IHLYICMMCWODEJ-UNOMPAQXSA-N
Synonyms
1005580-65-3
(4Z)2(3bromophenyl)4((5chloro3methyl1phenyl1Hpyrazol4yl)methylidene)5methyl24dihydro3Hpyrazol3one
(4Z)2(3bromophenyl)4((5chloro3methyl1phenylpyrazol4yl)methylidene)5methylpyrazol3one
1005580653
Brc1cccc(c1)N1N=C(C(=Cc2c(C)nn(c2Cl)c2ccccc2)C1=O)C
CC1=NN(C(=O)C1=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C4=CC(=CC=C4)Br
InChI=1SC21H16BrClN4Oc11318(20(23)26(2413)168435916)121914(2)2527(21(19)28)17106715(22)1117h312H12H3b1912
MFCD02372046
ZINC000022537723
ZINC22537723

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Available files

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