Vitas-M small molecule compound
ethyl 6-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK781275
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1scc(c1)Cn1cnc2c1cccc2)C#N)N
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-3-28-22(27)19-13(2)29-21(24)15(9-23)20(19)18-8-14(11-30-18)10-26-12-25-16-6-4-5-7-17(16)26/h4-8,11-12,20H,3,10,24H2,1-2H3InChIKey
MEWZEUVUVJGWRB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC(=CS2)CN3C=NC4=CC=CC=C43)C#N)N)C
ethyl6amino4(4(1Hbenzimidazol1ylmethyl)thiophen2yl)5cyano2methyl4Hpyran3carboxylate
ETHYL6AMINO4(4(BENZIMIDAZOL1YLMETHYL)THIOPHEN2YL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC22H20N4O3Sc132822(27)1913(2)2921(24)15(923)20(19)18814(113018)1026122516645717(16)26h48111220H31024H212H3
MFCD06014788
ZINC000012412726
ZINC000012412728
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