Vitas-M small molecule compound
methyl 3-[({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK121293
SMILES COC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1C)COc1ccccc1
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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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-24-17(12-28-16-9-4-3-5-10-16)22-23-20(24)29-13-18(25)21-15-8-6-7-14(11-15)19(26)27-2/h3-11H,12-13H2,1-2H3,(H,21,25)InChIKey
YFMISIQSTPZYEZ-UHFFFAOYSA-NSynonyms
3(2(4METHYL5PHENOXYMETHYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYLESTER
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)COC3=CC=CC=C3
InChI=1SC20H20N4O4Sc12417(12281694351016)222320(24)291318(25)211586714(1115)19(26)272h311H1213H212H3(H2125)
METHYL3((((4METHYL5(PHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL3((((4METHYL5(PHENOXYMETHYL)4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
METHYL3((2((4METHYL5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD02745612
ZINC000000687567
ZINC00687567
ZINC687567
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