Vitas-M small molecule compound
methyl 2-{[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}thiophene-3-carboxylate
Catalog ID
STK439856
SMILES COC(=O)c1ccsc1NC(=O)CSc1nnc(n1CC)COc1cc(C)ccc1C
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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 C21H24N4O4S2 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S2/c1-5-25-17(11-29-16-10-13(2)6-7-14(16)3)23-24-21(25)31-12-18(26)22-19-15(8-9-30-19)20(27)28-4/h6-10H,5,11-12H2,1-4H3,(H,22,26)InChIKey
HAHKACCHVYWKMU-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)COC3=C(C=CC(=C3)C)C
InChI=1SC21H24N4O4S2c152517(1129161013(2)6714(16)3)232421(25)311218(26)221915(893019)20(27)284h610H51112H214H3(H2226)
methyl2((((5((25dimethylphenoxy)methyl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL2((2((5((25DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL2(2(5((25DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YLTHIO)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03946043
ZINC000020214276
ZINC20214276
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