Vitas-M small molecule compound
methyl 2-{[({5-[(2,5-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}thiophene-3-carboxylate
Catalog ID
STK439857
SMILES C=CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1COc1cc(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 C22H24N4O4S2 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S2/c1-5-9-26-18(12-30-17-11-14(2)6-7-15(17)3)24-25-22(26)32-13-19(27)23-20-16(8-10-31-20)21(28)29-4/h5-8,10-11H,1,9,12-13H2,2-4H3,(H,23,27)InChIKey
PFOITACYHTWAKW-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CS3)C(=O)OC
InChI=1SC22H24N4O4S2c1592618(1230171114(2)6715(17)3)242522(26)321319(27)232016(8103120)21(28)294h581011H191213H224H3(H2327)
methyl2((((5((25dimethylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL2((2((5((25DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL2(2(5((25DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03946044
ZINC000020357296
ZINC20357296
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