Vitas-M small molecule compound
2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK886656
SMILES CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C(C)C
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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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/c1-4-31-20-11-9-19(10-12-20)27-24(30)15-32-25-22(14-26)21(13-23(29)28-25)18-7-5-17(6-8-18)16(2)3/h5-12,16,21H,4,13,15H2,1-3H3,(H,27,30)(H,28,29)InChIKey
KURXMEVVMJABOR-UHFFFAOYSA-NSynonyms
369393-35-12((3cyano4(4isopropylphenyl)6oxo1456tetrahydropyridin2yl)thio)N(4ethoxyphenyl)acetamide
2((3cyano6oxo4(4(propan2yl)phenyl)1456tetrahydropyridin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((5CYANO2OXO4(4PROPAN2YLPHENYL)34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(4ETHOXYPHENYL)ACETAMIDE
369393351
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)C(C)C)C#N
InChI=1SC25H27N3O3Sc14312011919(101220)2724(30)15322522(1426)21(1323(29)2825)187517(6818)16(2)3h5121621H41315H213H3(H2730)(H2829)
MFCD03000100
ZINC000002310715
ZINC000002310716
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