Vitas-M small molecule compound

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

Catalog ID
STL011440
SMILES N#CC1=C(C)/C(=C/Nc2ccccc2C(=O)O)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

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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 C19H17N3O6S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O6S/c1-11-14(8-20)17(23)22(12-6-7-29(27,28)10-12)18(24)15(11)9-21-16-5-3-2-4-13(16)19(25)26/h2-5,9,12,21H,6-7,10H2,1H3,(H,25,26)/b15-9-
InChIKey
IJDDQFZJMUAWJQ-DHDCSXOGSA-N
Synonyms

(Z)2(((5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoicacid
2(((Z)(5cyano1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoicacid
2(((Z)(5cyano1(11dioxothiolan3yl)4methyl26dioxopyridin3ylidene)methyl)amino)benzoicacid
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=CC=C2C(=O)O)C3CCS(=O)(=O)C3)C#N
InChI=1SC19H17N3O6Sc11114(820)17(23)22(126729(2728)1012)18(24)15(11)92116532413(16)19(25)26h2591221H6710H21H3(H2526)b159
MFCD09848079
N#CC1=C(C)C(=CNc2ccccc2C(=O)O)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000008991557
ZINC000008991558

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Available files

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