Vitas-M small molecule compound
methyl 4-chloro-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
STK991748
SMILES COC(=O)c1ccc(cc1N/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N)Cl
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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 C20H18ClN3O6S MW 463.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O6S/c1-11-15(8-22)18(25)24(13-5-6-31(28,29)10-13)19(26)16(11)9-23-17-7-12(21)3-4-14(17)20(27)30-2/h3-4,7,9,13,23H,5-6,10H2,1-2H3/b16-9-InChIKey
LPWWFJKOEWSVRT-SXGWCWSVSA-NSynonyms
(Z)methyl4chloro2(((5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CC1=C(C(=O)N(C(=O)C1=CNC2=C(C=CC(=C2)Cl)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)Cl
InChI=1SC20H18ClN3O6Sc11115(822)18(25)24(135631(2829)1013)19(26)16(11)92317712(21)3414(17)20(27)302h34791323H5610H212H3b169
methyl4chloro2(((Z)(5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
methyl4chloro2(((Z)(5cyano1(11dioxothiolan3yl)4methyl26dioxopyridin3ylidene)methyl)amino)benzoate
MFCD09849357
ZINC000009053806
ZINC000009053808
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