Vitas-M small molecule compound

4-(3-{(E)-[2-(1-benzofuran-2-ylcarbonyl)hydrazinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid

Catalog ID
STK199764
SMILES Cc1cc(ccc1n1c(C)cc(c1C)/C=N/NC(=O)c1cc2c(o1)cccc2)C(=O)O

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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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-14-10-18(24(29)30)8-9-20(14)27-15(2)11-19(16(27)3)13-25-26-23(28)22-12-17-6-4-5-7-21(17)31-22/h4-13H,1-3H3,(H,26,28)(H,29,30)/b25-13+
InChIKey
BLXSLWIDDOKWHY-DHRITJCHSA-N
Synonyms

4(3((1E)2(BENZO(D)FURAN2YLCARBONYLAMINO)2AZAVINYL)25DIMETHYLPYRROLYL)3METHYLBENZOICACID
4(3((E)(1benzofuran2carbonylhydrazinylidene)methyl)25dimethylpyrrol1yl)3methylbenzoicacid
4(3((E)(2(1BENZOFURAN2YLCARBONYL)HYDRAZINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)3METHYLBENZOICACID
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=NNC(=O)C3=CC4=CC=CC=C4O3
Cc1cc(ccc1n1c(C)cc(c1C)C=NNC(=O)c1cc2c(o1)cccc2)C(=O)O
InChI=1SC24H21N3O4c1141018(24(29)30)8920(14)2715(2)1119(16(27)3)13252623(28)221217645721(17)3122h413H13H3(H2628)(H2930)b2513+
MFCD03834755
ZINC000004083268
ZINC33768644

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Available files

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