Vitas-M small molecule compound

prop-2-en-1-yl 5'-cyano-6'-({2-[(ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-2'-methyl-1',4'-dihydro-3,4'-bipyridine-3'-carboxylate

Catalog ID
STK546035
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1cccnc1)C#N)SCC(=O)NC(=O)OCC

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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 C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-4-9-30-20(27)17-13(3)24-19(31-12-16(26)25-21(28)29-5-2)15(10-22)18(17)14-7-6-8-23-11-14/h4,6-8,11,18,24H,1,5,9,12H2,2-3H3,(H,25,26,28)
InChIKey
FXICRDCGAVJNJN-UHFFFAOYSA-N
Synonyms
445391-36-6
445391366
allyl5cyano6((2((ethoxycarbonyl)amino)2oxoethyl)thio)2methyl14dihydro(34bipyridine)3carboxylate
CCOC(=O)NC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CN=CC=C2)C#N
InChI=1SC21H22N4O5Sc1493020(27)1713(3)2419(311216(26)2521(28)2952)15(1022)18(17)14768231114h468111824H15912H223H3(H252628)
MFCD03234817
prop2en1yl5cyano6((2((ethoxycarbonyl)amino)2oxoethyl)sulfanyl)2methyl14dihydro34bipyridine3carboxylate
prop2enyl5cyano6(2(ethoxycarbonylamino)2oxoethyl)sulfanyl2methyl4pyridin3yl14dihydropyridine3carboxylate
ZINC000100830484
ZINC000100830487

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Available files

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