Vitas-M small molecule compound

methyl 4-(5-{(Z)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate

Catalog ID
STK908257
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/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 C24H20N2O7S MW 480.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O7S/c1-14-19(22(27)26(23(28)20(14)12-25)17-9-10-34(30,31)13-17)11-18-7-8-21(33-18)15-3-5-16(6-4-15)24(29)32-2/h3-8,11,17H,9-10,13H2,1-2H3/b19-11-
InChIKey
LJQQGZYFCPKKAW-ODLFYWEKSA-N
Synonyms

CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)C4CCS(=O)(=O)C4)C#N
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
InChI=1SC24H20N2O7Sc11419(22(27)26(23(28)20(14)1225)1791034(3031)1317)11187821(3318)153516(6415)24(29)322h381117H91013H212H3b1911
methyl4(5((Z)(5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)furan2yl)benzoate
methyl4(5((Z)(5cyano1(11dioxothiolan3yl)4methyl26dioxopyridin3ylidene)methyl)furan2yl)benzoate
MFCD06647725
ZINC000016752520
ZINC000016752523

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Available files

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