Vitas-M small molecule compound
benzyl ({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Catalog ID
STK764698
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C)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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-18-9-6-7-12-22(18)31-27(33)25-19(2)30-28(21(15-29)26(25)23-13-8-14-34-23)36-17-24(32)35-16-20-10-4-3-5-11-20/h3-14,26,30H,16-17H2,1-2H3,(H,31,33)InChIKey
DTAHPVZBWLUDTD-UHFFFAOYSA-NSynonyms
benzyl((3cyano4(furan2yl)6methyl5((2methylphenyl)carbamoyl)14dihydropyridin2yl)sulfanyl)acetate
BENZYL2((3CYANO4(FURAN2YL)6METHYL5((2METHYLPHENYL)CARBAMOYL)14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
benzyl2((3cyano4(furan2yl)6methyl5(otolylcarbamoyl)14dihydropyridin2yl)thio)acetate
CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)OCC4=CC=CC=C4)C
InChI=1SC28H25N3O4Sc1189671222(18)3127(33)2519(2)3028(21(1529)26(25)23138143423)361724(32)351620104351120h3142630H1617H212H3(H3133)
MFCD02233637
PHENYLMETHYL2(3CYANO4(2FURYL)6METHYL5(N(2METHYLPHENYL)CARBAMOYL)214DIHYDROPYRIDYLTHIO)ACETATE
ZINC000008914580
ZINC000008914581
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