Vitas-M small molecule compound
ethyl {[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK838774
SMILES CCOC(=O)CSC1=C(C#N)[C@@H](C(=C(N1)C)C(=O)C)c1ccccc1[N+](=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 C19H19N3O5S MW 401.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5S/c1-4-27-16(24)10-28-19-14(9-20)18(17(12(3)23)11(2)21-19)13-7-5-6-8-15(13)22(25)26/h5-8,18,21H,4,10H2,1-3H3/t18-/m0/s1InChIKey
RGGUADGXJWFRBE-SFHVURJKSA-NSynonyms
303740-62-7(R)ethyl2((5acetyl3cyano6methyl4(2nitrophenyl)14dihydropyridin2yl)thio)acetate
303740627
CCOC(=O)CSC1=C(C#N)(C@@H)(C(=C(N1)C)C(=O)C)c1ccccc1(N+)(=O)(O)
CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CC=C2(N+)(=O)(O))C#N
ethyl(((4R)5acetyl3cyano6methyl4(2nitrophenyl)14dihydropyridin2yl)sulfanyl)acetate
ETHYL2(((4R)5ACETYL3CYANO6METHYL4(2NITROPHENYL)14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
ETHYL2((4R)5ACETYL3CYANO6METHYL4(2NITROPHENYL)214DIHYDROPYRIDYLTHIO)ACETATE
InChI=1SC19H19N3O5Sc142716(24)10281914(920)18(17(12(3)23)11(2)2119)13756815(13)22(25)26h581821H410H213H3t18m0s1
MFCD18247014
ZINC000001084880
ZINC01084880
ZINC1084880
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