Vitas-M small molecule compound
propan-2-yl ({3-cyano-5-[(2,4-dichlorophenyl)carbamoyl]-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Catalog ID
STK885789
SMILES N#CC1=C(SCC(=O)OC(C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1Cl)Cl)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 C23H21Cl2N3O4S MW 506.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21Cl2N3O4S/c1-12(2)32-19(29)11-33-23-15(10-26)21(18-5-4-8-31-18)20(13(3)27-23)22(30)28-17-7-6-14(24)9-16(17)25/h4-9,12,21,27H,11H2,1-3H3,(H,28,30)InChIKey
JWTUACIMHFFGOQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)OC(C)C)C#N)C2=CC=CO2)C(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI=1SC23H21Cl2N3O4Sc112(2)3219(29)11332315(1026)21(185483118)20(13(3)2723)22(30)28177614(24)916(17)25h49122127H11H213H3(H2830)
MFCD10086311
propan2yl((3cyano5((24dichlorophenyl)carbamoyl)4(furan2yl)6methyl14dihydropyridin2yl)sulfanyl)acetate
propan2yl2((3cyano5((24dichlorophenyl)carbamoyl)4(furan2yl)6methyl14dihydropyridin2yl)sulfanyl)acetate
ZINC000012250139
ZINC000012250140
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