Vitas-M small molecule compound
methyl 6-amino-4-[4-(1H-benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK783327
SMILES COC(=O)C1=C(C)OC(=C(C1c1cc(c(s1)C)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/c1-12-19(22(27)28-3)20(15(9-23)21(24)29-12)18-8-14(13(2)30-18)10-26-11-25-16-6-4-5-7-17(16)26/h4-8,11,20H,10,24H2,1-3H3InChIKey
CNNJBBYZLNJBSO-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(S2)C)CN3C=NC4=CC=CC=C43)C(=O)OC
InChI=1SC22H20N4O3Sc11219(22(27)283)20(15(923)21(24)2912)18814(13(2)3018)1026112516645717(16)26h481120H1024H213H3
methyl6amino4(4(1Hbenzimidazol1ylmethyl)5methylthiophen2yl)5cyano2methyl4Hpyran3carboxylate
METHYL6AMINO4(4(BENZIMIDAZOL1YLMETHYL)5METHYLTHIOPHEN2YL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
MFCD06618062
ZINC000012372409
ZINC000012372410
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