Vitas-M small molecule compound
methyl 3-{[({5-[(2,6-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK122302
SMILES COC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1C)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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-14-7-5-8-15(2)20(14)30-12-18-24-25-22(26(18)3)31-13-19(27)23-17-10-6-9-16(11-17)21(28)29-4/h5-11H,12-13H2,1-4H3,(H,23,27)InChIKey
FNMUUHKBIAEURL-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC
InChI=1SC22H24N4O4Sc11475815(2)20(14)301218242522(26(18)3)311319(27)2317106916(1117)21(28)294h511H1213H214H3(H2327)
METHYL3((((5((26DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL3((((5((26DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
METHYL3((2((5((26DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04151087
ZINC000000682076
ZINC00682076
ZINC682076
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