Vitas-M small molecule compound
propan-2-yl 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887415
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=C(C1c1ccc(cc1)C(C)C)C(=O)OC(C)C)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 C28H30BrN3O3S MW 568.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrN3O3S/c1-16(2)19-6-8-20(9-7-19)26-23(14-30)27(31-18(5)25(26)28(34)35-17(3)4)36-15-24(33)32-22-12-10-21(29)11-13-22/h6-13,16-17,26,31H,15H2,1-5H3,(H,32,33)InChIKey
FRTGRUXYMUCSLR-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=C(C=C3)C(C)C)C(=O)OC(C)C
InChI=1SC28H30BrN3O3Sc116(2)196820(9719)2623(1430)27(3118(5)25(26)28(34)3517(3)4)361524(33)3222121021(29)111322h61316172631H15H215H3(H3233)
MFCD02999894
propan2yl6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl4(4(propan2yl)phenyl)14dihydropyridine3carboxylate
propan2yl6(2(4bromoanilino)2oxoethyl)sulfanyl5cyano2methyl4(4propan2ylphenyl)14dihydropyridine3carboxylate
ZINC000102753509
ZINC000102753511
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