Vitas-M small molecule compound
ethyl (4R)-6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK367417
SMILES CCOC(=O)C1=C(C)NC(=C([C@@H]1c1ccc(cc1)Cl)C#N)SCC(=O)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 C18H18ClN3O3S MW 391.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3O3S/c1-3-25-18(24)15-10(2)22-17(26-9-14(21)23)13(8-20)16(15)11-4-6-12(19)7-5-11/h4-7,16,22H,3,9H2,1-2H3,(H2,21,23)/t16-/m0/s1InChIKey
FNGGBONZQHQKGA-INIZCTEOSA-NSynonyms
CCOC(=O)C1=C(C)NC(=C((C@@H)1c1ccc(cc1)Cl)C#N)SCC(=O)N
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)SCC(=O)N)C
ethyl(4R)6((2amino2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ethyl(4R)6(2amino2oxoethyl)sulfanyl4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
InChI=1SC18H18ClN3O3Sc132518(24)1510(2)2217(26914(21)23)13(820)16(15)114612(19)7511h471622H39H212H3(H22123)t16m0s1
MFCD13368840
ZINC000022521105
ZINC22521105
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