Vitas-M small molecule compound
tert-butyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK725956
SMILES N#CC1=C(SCC(=O)N)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(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 C20H22ClN3O3S MW 419.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O3S/c1-11-16(19(26)27-20(2,3)4)17(12-5-7-13(21)8-6-12)14(9-22)18(24-11)28-10-15(23)25/h5-8,17,24H,10H2,1-4H3,(H2,23,25)InChIKey
QQVFOHLJCYEOCP-UHFFFAOYSA-NSynonyms
337499-40-8337499408
CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C
InChI=1SC20H22ClN3O3Sc11116(19(26)2720(23)4)17(125713(21)8612)14(922)18(2411)281015(23)25h581724H10H214H3(H22325)
MFCD02047733
tertbutyl6((2amino2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
TERTBUTYL6((2AMINO2OXOETHYL)THIO)4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
TERTBUTYL6(2AMINO2OXOETHYL)SULFANYL4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000019791497
ZINC000019791498
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