Vitas-M small molecule compound
6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK827699
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=C(C1c1ccccc1F)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 C28H22BrFN4O2S MW 577.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrFN4O2S/c1-17-25(27(36)34-19-7-3-2-4-8-19)26(21-9-5-6-10-23(21)30)22(15-31)28(32-17)37-16-24(35)33-20-13-11-18(29)12-14-20/h2-14,26,32H,16H2,1H3,(H,33,35)(H,34,36)InChIKey
AOHDFKNKDVMDET-UHFFFAOYSA-NSynonyms
6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyano4(2fluorophenyl)2methylNphenyl14dihydropyridine3carboxamide
6(2(4bromoanilino)2oxoethyl)sulfanyl5cyano4(2fluorophenyl)2methylNphenyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4
InChI=1SC28H22BrFN4O2Sc11725(27(36)34197324819)26(219561023(21)30)22(1531)28(3217)371624(35)3320131118(29)121420h2142632H16H21H3(H3335)(H3436)
MFCD10088199
ZINC000102810224
ZINC000102810226
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