Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK839688
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccccc1CC
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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/c1-4-12-32-25(30)22-16(3)27-24(18(14-26)23(22)20-11-8-13-31-20)33-15-21(29)28-19-10-7-6-9-17(19)5-2/h4,6-11,13,23,27H,1,5,12,15H2,2-3H3,(H,28,29)InChIKey
UEUGYZDYKKOLPJ-UHFFFAOYSA-NSynonyms
369394-07-0369394070
allyl5cyano6((2((2ethylphenyl)amino)2oxoethyl)thio)4(furan2yl)2methyl14dihydropyridine3carboxylate
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CO3)C#N
InChI=1SC25H25N3O4Sc14123225(30)2216(3)2724(18(1426)23(22)20118133120)331521(29)28191076917(19)52h4611132327H151215H223H3(H2829)
MFCD03000155
prop2en1yl5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(2ETHYLANILINO)2OXOETHYL)SULFANYL4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000002310786
ZINC000020028865
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