Vitas-M small molecule compound
4-[(Z)-(2-{[5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxo-1,6-dihydropyridazin-3-yl]carbonyl}hydrazinylidene)methyl]benzoic acid
Catalog ID
STK275760
SMILES COc1ccc(cc1)n1nc(C(=O)N/N=C\c2ccc(cc2)C(=O)O)c(c(c1=O)C#N)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 C22H17N5O5 MW 431.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O5/c1-13-18(11-23)21(29)27(16-7-9-17(32-2)10-8-16)26-19(13)20(28)25-24-12-14-3-5-15(6-4-14)22(30)31/h3-10,12H,1-2H3,(H,25,28)(H,30,31)/b24-12-InChIKey
WFVDNBKDDZKLMK-MSXFZWOLSA-NSynonyms
4((Z)((5cyano1(4methoxyphenyl)4methyl6oxopyridazine3carbonyl)hydrazinylidene)methyl)benzoicacid
4((Z)(2((5CYANO1(4METHOXYPHENYL)4METHYL6OXO16DIHYDROPYRIDAZIN3YL)CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
CC1=C(C(=O)N(N=C1C(=O)NN=CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC)C#N
COc1ccc(cc1)n1nc(C(=O)NN=Cc2ccc(cc2)C(=O)O)c(c(c1=O)C#N)C
InChI=1SC22H17N5O5c11318(1123)21(29)27(167917(322)10816)2619(13)20(28)252412143515(6414)22(30)31h31012H12H3(H2528)(H3031)b2412
MFCD09268661
ZINC000030834244
ZINC98035151
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