Vitas-M small molecule compound

2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK552131
SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)[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 C23H22N4O7S MW 498.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O7S/c1-14-20(23(29)34-11-10-32-2)21(18-4-3-9-33-18)17(12-24)22(25-14)35-13-19(28)26-15-5-7-16(8-6-15)27(30)31/h3-9,21,25H,10-11,13H2,1-2H3,(H,26,28)
InChIKey
QKUDWFIFFNRUQT-UHFFFAOYSA-N
Synonyms
799770-32-4
2methoxyethyl5cyano4(furan2yl)2methyl6((2((4nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
2methoxyethyl5cyano4(furan2yl)2methyl6((2((4nitrophenyl)amino)2oxoethyl)thio)14dihydropyridine3carboxylate
2METHOXYETHYL5CYANO4(FURAN2YL)2METHYL6(2(4NITROANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
799770324
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C#N)C3=CC=CO3)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H22N4O7Sc11420(23(29)341110322)21(184393318)17(1224)22(2514)351319(28)26155716(8615)27(30)31h392125H101113H212H3(H2628)
MFCD03671439
ZINC000020170657
ZINC000020170659

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.