Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885819
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=C(C1c1ccco1)C(=O)Nc1nc2c(s1)cccc2)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 C28H20F3N5O3S2 MW 595.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20F3N5O3S2/c1-15-23(25(38)36-27-35-19-9-4-5-11-21(19)41-27)24(20-10-6-12-39-20)16(13-32)26(33-15)40-14-22(37)34-18-8-3-2-7-17(18)28(29,30)31/h2-12,24,33H,14H2,1H3,(H,34,37)(H,35,36,38)InChIKey
KGWJJAMDOUSENZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(F)(F)F)C#N)C3=CC=CO3)C(=O)NC4=NC5=CC=CC=C5S4
InChI=1SC28H20F3N5O3S2c11523(25(38)362735199451121(19)4127)24(20106123920)16(1332)26(3315)401422(37)3418832717(18)28(2930)31h2122433H14H21H3(H3437)(H353638)
MFCD10086351
N(13benzothiazol2yl)5cyano4(furan2yl)2methyl6((2oxo2((2(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxamide
N(13benzothiazol2yl)5cyano4(furan2yl)2methyl6(2oxo2(2(trifluoromethyl)anilino)ethyl)sulfanyl14dihydropyridine3carboxamide
ZINC000098048588
ZINC000098048589
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