Vitas-M small molecule compound
4-({(Z)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoic acid
Catalog ID
STL010851
SMILES N#CC1=C(C)/C(=C/Nc2ccc(cc2)C(=O)O)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
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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 C19H17N3O6S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O6S/c1-11-15(8-20)17(23)22(14-6-7-29(27,28)10-14)18(24)16(11)9-21-13-4-2-12(3-5-13)19(25)26/h2-5,9,14,21H,6-7,10H2,1H3,(H,25,26)/b16-9-InChIKey
SBPSNWSRLWTKLY-SXGWCWSVSA-NSynonyms
(Z)4(((5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoicacid
4(((Z)(5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoicacid
4(((Z)(5cyano1(11dioxothiolan3yl)4methyl26dioxopyridin3ylidene)methyl)amino)benzoicacid
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=C(C=C2)C(=O)O)C3CCS(=O)(=O)C3)C#N
InChI=1SC19H17N3O6Sc11115(820)17(23)22(146729(2728)1014)18(24)16(11)921134212(3513)19(25)26h2591421H6710H21H3(H2526)b169
MFCD09848705
N#CC1=C(C)C(=CNc2ccc(cc2)C(=O)O)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000008993105
ZINC000008993106
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