Vitas-M small molecule compound

6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide

Catalog ID
STK887336
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)NC(=C(C1c1ccccc1F)C(=O)Nc1ccccc1OC)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 C30H27FN4O3S MW 542.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27FN4O3S/c1-19-27(29(37)35-24-14-8-9-15-25(24)38-2)28(21-12-6-7-13-23(21)31)22(16-32)30(34-19)39-18-26(36)33-17-20-10-4-3-5-11-20/h3-15,28,34H,17-18H2,1-2H3,(H,33,36)(H,35,37)
InChIKey
HVXFJOQIFPAHBS-UHFFFAOYSA-N
Synonyms

6((2(benzylamino)2oxoethyl)sulfanyl)5cyano4(2fluorophenyl)N(2methoxyphenyl)2methyl14dihydropyridine3carboxamide
6(2(benzylamino)2oxoethyl)sulfanyl5cyano4(2fluorophenyl)N(2methoxyphenyl)2methyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4OC
InChI=1SC30H27FN4O3Sc11927(29(37)352414891525(24)382)28(2112671323(21)31)22(1632)30(3419)391826(36)331720104351120h3152834H1718H212H3(H3336)(H3537)
MFCD03723787
ZINC000102719481
ZINC000102719484

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Available files

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