Vitas-M small molecule compound
4-({[3-cyano-5-(3-ethoxy-3-oxopropyl)-4,6-dimethylpyridin-2-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STL006019
SMILES CCOC(=O)CCc1c(C)nc(c(c1C)C#N)SCc1ccc(cc1)C(=O)O
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-4-27-19(24)10-9-17-13(2)18(11-22)20(23-14(17)3)28-12-15-5-7-16(8-6-15)21(25)26/h5-8H,4,9-10,12H2,1-3H3,(H,25,26)InChIKey
OJOOEMUFFVCHAC-UHFFFAOYSA-NSynonyms
625377-11-94(((3cyano5(3ethoxy3oxopropyl)46dimethylpyridin2yl)sulfanyl)methyl)benzoicacid
4(((3cyano5(3ethoxy3oxopropyl)46dimethylpyridin2yl)thio)methyl)benzoicacid
4((3CYANO5(2(ETHOXYCARBONYL)ETHYL)46DIMETHYL2PYRIDYLTHIO)METHYL)BENZOICACID
4((3CYANO5(3ETHOXY3OXOPROPYL)46DIMETHYLPYRIDIN2YL)SULFANYLMETHYL)BENZOICACID
4(3CYANO5(2ETHOXYCARBONYLETHYL)46DIMETHYLPYRIDIN2YLSULFANYLMETHYL)BENZOICACID
625377119
CCOC(=O)CCC1=C(N=C(C(=C1C)C#N)SCC2=CC=C(C=C2)C(=O)O)C
InChI=1SC21H22N2O4Sc142719(24)1091713(2)18(1122)20(2314(17)3)2812155716(8615)21(25)26h58H491012H213H3(H2526)
MFCD03730841
ZINC000000804075
ZINC804075
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