Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK839421
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)CC
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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(19(14-26)23(22)20-7-6-13-31-20)33-15-21(29)28-18-10-8-17(5-2)9-11-18/h4,6-11,13,23,27H,1,5,12,15H2,2-3H3,(H,28,29)InChIKey
VVJRPRJKKVMQBG-UHFFFAOYSA-NSynonyms
370846-84-7370846847
allyl5cyano6((2((4ethylphenyl)amino)2oxoethyl)thio)4(furan2yl)2methyl14dihydropyridine3carboxylate
CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CO3)C#N
InChI=1SC25H25N3O4Sc14123225(30)2216(3)2724(19(1426)23(22)2076133120)331521(29)281810817(52)91118h4611132327H151215H223H3(H2829)
MFCD02999262
prop2en1yl5cyano6((2((4ethylphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(4ETHYLANILINO)2OXOETHYL)SULFANYL4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020025963
ZINC000020025965
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