Vitas-M small molecule compound
methyl 3-{[({5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK121549
SMILES COC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1CC)COc1c(C)cccc1C
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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 C23H26N4O4S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4S/c1-5-27-19(13-31-21-15(2)8-6-9-16(21)3)25-26-23(27)32-14-20(28)24-18-11-7-10-17(12-18)22(29)30-4/h6-12H,5,13-14H2,1-4H3,(H,24,28)InChIKey
QLEPQGAGZSSBLN-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)COC3=C(C=CC=C3C)C
InChI=1SC23H26N4O4Sc152719(13312115(2)86916(21)3)252623(27)321420(28)24181171017(1218)22(29)304h612H51314H214H3(H2428)
METHYL3((((5((26DIMETHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL3((((5((26DIMETHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
METHYL3((2((5((26DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04151088
ZINC000000682077
ZINC00682077
ZINC682077
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