Vitas-M small molecule compound

3-[(4Z)-4-(5-bromo-3-iodo-2-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

Catalog ID
STK958717
SMILES COc1c(cc(cc1I)Br)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)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 C19H14BrIN2O4 MW 541.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrIN2O4/c1-10-15(8-12-6-13(20)9-16(21)17(12)27-2)18(24)23(22-10)14-5-3-4-11(7-14)19(25)26/h3-9H,1-2H3,(H,25,26)/b15-8-
InChIKey
WDPCBFRIGNQMIW-NVNXTCNLSA-N
Synonyms
767633-34-1
3((4Z)4((5bromo3iodo2methoxyphenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
3((4Z)4(5bromo3iodo2methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
767633341
CC1=NN(C(=O)C1=CC2=CC(=CC(=C2OC)I)Br)C3=CC=CC(=C3)C(=O)O
COc1c(cc(cc1I)Br)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C
InChI=1SC19H14BrIN2O4c11015(812613(20)916(21)17(12)272)18(24)23(2210)1453411(714)19(25)26h39H12H3(H2526)b158
MFCD02380043
ZINC000103069740
ZINC103069740

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Available files

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