Vitas-M small molecule compound
ethyl 4-({[5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK886349
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)N(c1ccccc1)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 C35H30N4O5S MW 618.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N4O5S/c1-3-43-35(42)24-16-18-25(19-17-24)38-33(41)31-23(2)37-34(28(21-36)32(31)29-15-10-20-44-29)45-22-30(40)39(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-20,32,37H,3,22H2,1-2H3,(H,38,41)InChIKey
PTHFCJXMIAQRQU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C
ethyl4(((5cyano6((2(diphenylamino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
ethyl4((5cyano4(furan2yl)2methyl6(2oxo2(Nphenylanilino)ethyl)sulfanyl14dihydropyridine3carbonyl)amino)benzoate
InChI=1SC35H30N4O5Sc134335(42)24161825(191724)3833(41)3123(2)3734(28(2136)32(31)291510204429)452230(40)39(26116471226)27138591427h4203237H322H212H3(H3841)
MFCD10086829
ZINC000102808691
ZINC000102808693
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