Vitas-M small molecule compound
ethyl 4-{[(6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridin-3-yl)carbonyl]amino}benzoate
Catalog ID
STK885807
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)NCc1ccccc1
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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 C32H30N4O4S MW 566.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O4S/c1-3-40-32(39)24-14-16-25(17-15-24)36-30(38)28-21(2)35-31(26(18-33)29(28)23-12-8-5-9-13-23)41-20-27(37)34-19-22-10-6-4-7-11-22/h4-17,29,35H,3,19-20H2,1-2H3,(H,34,37)(H,36,38)InChIKey
ARQXNPSKYKIKIW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)NCC4=CC=CC=C4)C
ethyl4(((6((2(benzylamino)2oxoethyl)sulfanyl)5cyano2methyl4phenyl14dihydropyridin3yl)carbonyl)amino)benzoate
ethyl4((6(2(benzylamino)2oxoethyl)sulfanyl5cyano2methyl4phenyl14dihydropyridine3carbonyl)amino)benzoate
InChI=1SC32H30N4O4Sc134032(39)24141625(171524)3630(38)2821(2)3531(26(1833)29(28)23128591323)412027(37)341922106471122h4172935H31920H212H3(H3437)(H3638)
MFCD10086334
ZINC000098048561
ZINC000098048562
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