Vitas-M small molecule compound
benzyl 5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK549800
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccco1)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 C27H22FN3O4S MW 503.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22FN3O4S/c1-17-24(27(33)35-15-18-6-3-2-4-7-18)25(22-8-5-13-34-22)21(14-29)26(30-17)36-16-23(32)31-20-11-9-19(28)10-12-20/h2-13,25,30H,15-16H2,1H3,(H,31,32)InChIKey
HBTZHNYBHUCCKG-UHFFFAOYSA-NSynonyms
796881-75-9796881759
benzyl5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
BENZYL5CYANO6((2((4FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4FURAN2YL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
benzyl5cyano6((2((4fluorophenyl)amino)2oxoethyl)thio)4(furan2yl)2methyl14dihydropyridine3carboxylate
BENZYL5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4
InChI=1SC27H22FN3O4Sc11724(27(33)3515186324718)25(2285133422)21(1429)26(3017)361623(32)312011919(28)101220h2132530H1516H21H3(H3132)
MFCD03670728
ZINC000020170484
ZINC000020170486
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