Vitas-M small molecule compound
ethyl 5-({[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
Catalog ID
STK306432
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Cl
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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 C22H24ClN5O3S MW 473.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O3S/c1-3-31-18(29)16-12(2)15(9-24)17(32-16)26-19(30)21-5-13-4-14(6-21)8-22(7-13,10-21)28-11-25-20(23)27-28/h11,13-14H,3-8,10H2,1-2H3,(H,26,30)InChIKey
ONTQXEXMBMROFD-UHFFFAOYSA-NSynonyms
828279-57-8828279578
CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)C#N)C
ethyl5(((3(3chloro1H124triazol1yl)tricyclo(3311~37~)dec1yl)carbonyl)amino)4cyano3methylthiophene2carboxylate
ETHYL5((3(3CHLORO(124TRIAZOLYL))ADAMANTANYL)CARBONYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
ETHYL5((3(3CHLORO124TRIAZOL1YL)ADAMANTANE1CARBONYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC22H24ClN5O3Sc133118(29)1612(2)15(924)17(3216)2619(30)21513414(621)822(7131021)28112520(23)2728h111314H3810H212H3(H2630)
MFCD04056343
ZINC000012413632
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