Vitas-M small molecule compound
dimethyl 2-({(Z)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STK991757
SMILES COC(=O)c1ccc(cc1N/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N)C(=O)OC
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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 C22H21N3O8S MW 487.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O8S/c1-12-16(9-23)19(26)25(14-6-7-34(30,31)11-14)20(27)17(12)10-24-18-8-13(21(28)32-2)4-5-15(18)22(29)33-3/h4-5,8,10,14,24H,6-7,11H2,1-3H3/b17-10-InChIKey
XAGCBIJHTTUYSR-YVLHZVERSA-NSynonyms
(Z)dimethyl2(((5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)terephthalate
CC1=C(C(=O)N(C(=O)C1=CNC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3CCS(=O)(=O)C3)C#N
COC(=O)c1ccc(cc1NC=C1C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N)C(=O)OC
dimethyl2(((Z)(5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzene14dicarboxylate
dimethyl2(((Z)(5cyano1(11dioxothiolan3yl)4methyl26dioxopyridin3ylidene)methyl)amino)benzene14dicarboxylate
InChI=1SC22H21N3O8Sc11216(923)19(26)25(146734(3031)1114)20(27)17(12)102418813(21(28)322)4515(18)22(29)333h458101424H6711H213H3b1710
MFCD09847880
ZINC000008991069
ZINC000008991070
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Check stock on Vitas-MAvailable files
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