Vitas-M small molecule compound
6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826583
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1cccc(c1)C(F)(F)F)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 C28H23F3N4O3S MW 552.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23F3N4O3S/c1-17-24(26(37)35-20-10-5-9-19(13-20)28(29,30)31)25(22-11-6-12-38-22)21(14-32)27(34-17)39-16-23(36)33-15-18-7-3-2-4-8-18/h2-13,25,34H,15-16H2,1H3,(H,33,36)(H,35,37)InChIKey
LHDJDIMHOGJSQB-UHFFFAOYSA-NSynonyms
6((2(BENZYLAMINO)2OXOETHYL)SULFANYL)5CYANO4(2FURYL)2METHYLN(3(TRIFLUOROMETHYL)PHENYL)14DIHYDRO3PYRIDINECARBOXAMIDE
6((2(benzylamino)2oxoethyl)sulfanyl)5cyano4(furan2yl)2methylN(3(trifluoromethyl)phenyl)14dihydropyridine3carboxamide
6(2(BENZYLAMINO)2OXOETHYL)SULFANYL5CYANO4(FURAN2YL)2METHYLN(3(TRIFLUOROMETHYL)PHENYL)14DIHYDROPYRIDINE3CARBOXAMIDE
CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC28H23F3N4O3Sc11724(26(37)3520105919(1320)28(2930)31)25(22116123822)21(1432)27(3417)391623(36)3315187324818h2132534H1516H21H3(H3336)(H3537)
MFCD03783651
ZINC000008429981
ZINC000008429983
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