Vitas-M small molecule compound
5-bromo-2-{(2Z)-2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]hydrazinyl}benzoic acid
Catalog ID
STL358621
SMILES OCCN1C(=O)/C(=N\Nc2ccc(cc2C(=O)O)Br)/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 C16H13BrN4O5 MW 421.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4O5/c1-8-11(7-18)14(23)21(4-5-22)15(24)13(8)20-19-12-3-2-9(17)6-10(12)16(25)26/h2-3,6,19,22H,4-5H2,1H3,(H,25,26)/b20-13-InChIKey
ICSBEJQRBSPPSN-MOSHPQCFSA-NSynonyms
(E)5bromo2(2(5cyano1(2hydroxyethyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)hydrazinyl)benzoicacid
5bromo2((2Z)2(5cyano1(2hydroxyethyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)hydrazinyl)benzoicacid
5bromo2((2Z)2(5cyano1(2hydroxyethyl)4methyl26dioxopyridin3ylidene)hydrazinyl)benzoicacid
CC1=C(C(=O)N(C(=O)C1=NNC2=C(C=C(C=C2)Br)C(=O)O)CCO)C#N
InChI=1SC16H13BrN4O5c1811(718)14(23)21(4522)15(24)13(8)201912329(17)610(12)16(25)26h2361922H45H21H3(H2526)b2013
MFCD28032677
OCCN1C(=O)C(=NNc2ccc(cc2C(=O)O)Br)C(=C(C1=O)C#N)C
ZINC000013768989
ZINC101112931
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