Vitas-M small molecule compound
methyl 4-[({[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK013293
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C1CCCCC1)c1cccnc1
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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 C23H25N5O3S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S/c1-31-22(30)16-9-11-18(12-10-16)25-20(29)15-32-23-27-26-21(17-6-5-13-24-14-17)28(23)19-7-3-2-4-8-19/h5-6,9-14,19H,2-4,7-8,15H2,1H3,(H,25,29)InChIKey
GEGQKPUELFEZCV-UHFFFAOYSA-NSynonyms
432539-70-3432539703
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4
COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C1CCCCC1)c1cccnc1
InChI=1SC23H25N5O3Sc13122(30)1691118(121016)2520(29)153223272621(176513241417)28(23)197324819h5691419H247815H21H3(H2529)
METHYL4((((4CYCLOHEXYL5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4CYCLOHEXYL5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4cyclohexyl5(pyridin3yl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4CYCLOHEXYL5(3PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD03144791
STK013293
ZINC000008837935
ZINC08837935
ZINC8837935
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.