Vitas-M small molecule compound
methyl 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
STK991746
SMILES COC(=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 C20H19N3O6S MW 429.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6S/c1-12-15(9-21)18(24)23(13-7-8-30(27,28)11-13)19(25)16(12)10-22-17-6-4-3-5-14(17)20(26)29-2/h3-6,10,13,22H,7-8,11H2,1-2H3/b16-10-InChIKey
RXVVZVUKDKMTOA-YBEGLDIGSA-NSynonyms
(Z)methyl2(((5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=CC=C2C(=O)OC)C3CCS(=O)(=O)C3)C#N
COC(=O)c1ccccc1NC=C1C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
InChI=1SC20H19N3O6Sc11215(921)18(24)23(137830(2728)1113)19(25)16(12)102217643514(17)20(26)292h36101322H7811H212H3b1610
methyl2(((Z)(5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
methyl2(((Z)(5cyano1(11dioxothiolan3yl)4methyl26dioxopyridin3ylidene)methyl)amino)benzoate
MFCD09845402
ZINC000009422553
ZINC000009422554
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