Vitas-M small molecule compound
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK833705
SMILES CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-3-27-18(24)15-10(2)21-17(28-9-14(20)23)13(8-19)16(15)11-5-4-6-12(7-11)22(25)26/h4-7,16,21H,3,9H2,1-2H3,(H2,20,23)InChIKey
JXRWEAOAYNRAJV-UHFFFAOYSA-NSynonyms
111853-34-0111853340
CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)(N+)(=O)(O))C#N)SCC(=O)N
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)(N+)(=O)(O))C#N)SCC(=O)N)C
ethyl6((2amino2oxoethyl)sulfanyl)5cyano2methyl4(3nitrophenyl)14dihydropyridine3carboxylate
ethyl6((2amino2oxoethyl)thio)5cyano2methyl4(3nitrophenyl)14dihydropyridine3carboxylate
ETHYL6(2AMINO2OXOETHYL)SULFANYL5CYANO2METHYL4(3NITROPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC18H18N4O5Sc132718(24)1510(2)2117(28914(20)23)13(819)16(15)1154612(711)22(25)26h471621H39H212H3(H22023)
MFCD01218431
ZINC000020842239
ZINC000020842242
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