Vitas-M small molecule compound
benzyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STL115772
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)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 C27H23N3O4S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S/c1-18-24(26(32)30-20-11-6-3-7-12-20)25(22-13-8-14-33-22)21(15-28)27(29-18)35-17-23(31)34-16-19-9-4-2-5-10-19/h2-14,25,29H,16-17H2,1H3,(H,30,32)InChIKey
LDICDROOMMKUES-UHFFFAOYSA-NSynonyms
benzyl((3cyano4(furan2yl)6methyl5(phenylcarbamoyl)14dihydropyridin2yl)sulfanyl)acetate
BENZYL2((3CYANO4(FURAN2YL)6METHYL5(PHENYLCARBAMOYL)14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
CC1=C(C(C(=C(N1)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4
InChI=1SC27H23N3O4Sc11824(26(32)3020116371220)25(22138143322)21(1528)27(2918)351723(31)34161994251019h2142529H1617H21H3(H3032)
MFCD00316565
PHENYLMETHYL2(3CYANO4(2FURYL)6METHYL5(NPHENYLCARBAMOYL)214DIHYDROPYRIDYLTHIO)ACETATE
ZINC000000856104
ZINC000008892297
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