Vitas-M small molecule compound
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(4-ethylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886927
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccc(cc1)CC)C#N)SCC(=O)N)c1ccccc1
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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-3-16-10-12-17(13-11-16)21-19(14-26)24(32-15-20(27)29)28-23(18-8-6-5-7-9-18)22(21)25(30)31-4-2/h5-13,21,28H,3-4,15H2,1-2H3,(H2,27,29)InChIKey
LSVAKVGMOZKICJ-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC)C3=CC=CC=C3)SCC(=O)N)C#N
ethyl6((2amino2oxoethyl)sulfanyl)5cyano4(4ethylphenyl)2phenyl14dihydropyridine3carboxylate
ethyl6(2amino2oxoethyl)sulfanyl5cyano4(4ethylphenyl)2phenyl14dihydropyridine3carboxylate
InChI=1SC25H25N3O3Sc1316101217(131116)2119(1426)24(321520(27)29)2823(188657918)22(21)25(30)3142h5132128H3415H212H3(H22729)
MFCD10087602
ZINC000020348282
ZINC000020348284
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