Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK549356
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)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 C29H23ClFN3O3S MW 548.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClFN3O3S/c1-18-26(29(36)37-16-19-5-3-2-4-6-19)27(20-7-9-21(30)10-8-20)24(15-32)28(33-18)38-17-25(35)34-23-13-11-22(31)12-14-23/h2-14,27,33H,16-17H2,1H3,(H,34,35)InChIKey
SPFHFJNCCHLDKJ-UHFFFAOYSA-NSynonyms
799770-16-4799770164
benzyl4(4chlorophenyl)5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6((2((4fluorophenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC29H23ClFN3O3Sc11826(29(36)3716195324619)27(207921(30)10820)24(1532)28(3318)381725(35)3423131122(31)121423h2142733H1617H21H3(H3435)
MFCD03671387
ZINC000097951888
ZINC000097951889
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