Vitas-M small molecule compound
3-{(2E)-2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]hydrazinyl}benzoic acid
Catalog ID
STL163636
SMILES OCCN1C(=O)/C(=N/Nc2cccc(c2)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 C16H14N4O5 MW 342.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O5/c1-9-12(8-17)14(22)20(5-6-21)15(23)13(9)19-18-11-4-2-3-10(7-11)16(24)25/h2-4,7,18,21H,5-6H2,1H3,(H,24,25)/b19-13+InChIKey
IHWMDBJVIBBISN-CPNJWEJPSA-NSynonyms
(E)3(2(5cyano1(2hydroxyethyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)hydrazinyl)benzoicacid
3((2E)2(5cyano1(2hydroxyethyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)hydrazinyl)benzoicacid
3((2E)2(5CYANO1(2HYDROXYETHYL)4METHYL26DIOXOPYRIDIN3YLIDENE)HYDRAZINYL)BENZOICACID
CC1=C(C(=O)N(C(=O)C1=NNC2=CC=CC(=C2)C(=O)O)CCO)C#N
InChI=1SC16H14N4O5c1912(817)14(22)20(5621)15(23)13(9)19181142310(711)16(24)25h2471821H56H21H3(H2425)b1913+
MFCD04183726
OCCN1C(=O)C(=NNc2cccc(c2)C(=O)O)C(=C(C1=O)C#N)C
ZINC000100488188
ZINC13777314
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