Vitas-M small molecule compound

ethyl 1-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK773149
SMILES CCOC(=O)C1=C(C)N(C(=C(C1c1cccc(c1)[N+](=O)[O-])C#N)N)c1nonc1NC(=O)C

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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 C20H19N7O6 MW 453.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N7O6/c1-4-32-20(29)15-10(2)26(19-18(23-11(3)28)24-33-25-19)17(22)14(9-21)16(15)12-6-5-7-13(8-12)27(30)31/h5-8,16H,4,22H2,1-3H3,(H,23,24,28)
InChIKey
PCBWENNSMXEJEM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)N(C(=C(C1c1cccc(c1)(N+)(=O)(O))C#N)N)c1nonc1NC(=O)C
CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)(N+)(=O)(O))C#N)N)C3=NON=C3NC(=O)C)C
ETHYL1(4(ACETYLAMINO)(125OXADIAZOL3YL))6AMINO5CYANO2METHYL4(3NITROPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
ethyl1(4(acetylamino)125oxadiazol3yl)6amino5cyano2methyl4(3nitrophenyl)14dihydropyridine3carboxylate
ETHYL1(4ACETAMIDO125OXADIAZOL3YL)6AMINO5CYANO2METHYL4(3NITROPHENYL)4HPYRIDINE3CARBOXYLATE
InChI=1SC20H19N7O6c143220(29)1510(2)26(1918(2311(3)28)24332519)17(22)14(921)16(15)1265713(812)27(30)31h5816H422H213H3(H232428)
MFCD03158702
ZINC000003626836
ZINC000003626837

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Available files

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