Vitas-M small molecule compound
4-chloro-3-{5-[(E)-{2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]hydrazinylidene}methyl]furan-2-yl}benzoic acid
Catalog ID
STK075899
SMILES COCc1cc(C)nc(c1C#N)N/N=C/c1ccc(o1)c1cc(ccc1Cl)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 C21H17ClN4O4 MW 424.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O4/c1-12-7-14(11-29-2)17(9-23)20(25-12)26-24-10-15-4-6-19(30-15)16-8-13(21(27)28)3-5-18(16)22/h3-8,10H,11H2,1-2H3,(H,25,26)(H,27,28)/b24-10+InChIKey
VAENRGVUISGSIU-YSURURNPSA-NSynonyms
4chloro3(5((E)((3cyano4(methoxymethyl)6methylpyridin2yl)hydrazinylidene)methyl)furan2yl)benzoicacid
4CHLORO3(5((E)(2(3CYANO4(METHOXYMETHYL)6METHYLPYRIDIN2YL)HYDRAZINYLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5(2(3CYANO4(METHOXYMETHYL)6METHYL2PYRIDINYL)CARBOHYDRAZONOYL)2FURYL)BENZOICACID
CC1=NC(=C(C(=C1)COC)C#N)NN=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl
COCc1cc(C)nc(c1C#N)NN=Cc1ccc(o1)c1cc(ccc1Cl)C(=O)O
InChI=1SC21H17ClN4O4c112714(11292)17(923)20(2512)262410154619(3015)16813(21(27)28)3518(16)22h3810H11H212H3(H2526)(H2728)b2410+
MFCD04091231
STK075899
ZINC000008437678
ZINC13139990
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