Vitas-M small molecule compound

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

Catalog ID
STK887285
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1c(C)cccc1C

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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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-5-11-32-25(30)21-17(4)27-24(18(13-26)22(21)19-10-7-12-31-19)33-14-20(29)28-23-15(2)8-6-9-16(23)3/h5-10,12,22,27H,1,11,14H2,2-4H3,(H,28,29)
InChIKey
ISCIMAXZODQYEY-UHFFFAOYSA-N
Synonyms

CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CO3)C#N
InChI=1SC25H25N3O4Sc15113225(30)2117(4)2724(18(1326)22(21)19107123119)331420(29)282315(2)86916(23)3h510122227H11114H224H3(H2829)
MFCD10088149
prop2en1yl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
prop2enyl5cyano6(2(26dimethylanilino)2oxoethyl)sulfanyl4(furan2yl)2methyl14dihydropyridine3carboxylate
ZINC000020348573
ZINC000020348575

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Available files

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