Vitas-M small molecule compound
N-(3-butoxyphenyl)-2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetamide
Catalog ID
STK886652
SMILES CCCCOc1cccc(c1)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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c1-4-5-13-33-22-8-6-7-21(14-22)29-26(32)17-34-27-24(16-28)23(15-25(31)30-27)20-11-9-19(10-12-20)18(2)3/h6-12,14,18,23H,4-5,13,15,17H2,1-3H3,(H,29,32)(H,30,31)InChIKey
OPKWYZGRCAKZOL-UHFFFAOYSA-NSynonyms
383896-30-8383896308
CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)C(C)C)C#N
InChI=1SC27H31N3O3Sc14513332286721(1422)2926(32)17342724(1628)23(1525(31)3027)2011919(101220)18(2)3h612141823H45131517H213H3(H2932)(H3031)
MFCD03000783
N(3butoxyphenyl)2((3cyano4(4isopropylphenyl)6oxo1456tetrahydropyridin2yl)thio)acetamide
N(3butoxyphenyl)2((3cyano6oxo4(4(propan2yl)phenyl)1456tetrahydropyridin2yl)sulfanyl)acetamide
N(3BUTOXYPHENYL)2((5CYANO2OXO4(4PROPAN2YLPHENYL)34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETAMIDE
ZINC000002312311
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