Vitas-M small molecule compound
ethyl 2-({(Z)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STK719255
SMILES CCOC(=O)c1ccccc1N/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
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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 C21H21N3O6S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6S/c1-3-30-21(27)15-6-4-5-7-18(15)23-11-17-13(2)16(10-22)19(25)24(20(17)26)14-8-9-31(28,29)12-14/h4-7,11,14,23H,3,8-9,12H2,1-2H3/b17-11-InChIKey
BLQDODBRNMPJKB-BOPFTXTBSA-NSynonyms
(Z)ethyl2(((5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CCOC(=O)C1=CC=CC=C1NC=C2C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C
CCOC(=O)c1ccccc1NC=C1C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
ethyl2(((Z)(5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
ethyl2(((Z)(5cyano1(11dioxothiolan3yl)4methyl26dioxopyridin3ylidene)methyl)amino)benzoate
InChI=1SC21H21N3O6Sc133021(27)15645718(15)23111713(2)16(1022)19(25)24(20(17)26)148931(2829)1214h47111423H38912H212H3b1711
MFCD09793298
ZINC000008993379
ZINC000008993380
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