Vitas-M small molecule compound
butyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL354422
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)CSc1ncn(n1)c1ccccc1
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-2-3-13-28-20(27)16-9-11-17(12-10-16)23-19(26)14-29-21-22-15-25(24-21)18-7-5-4-6-8-18/h4-12,15H,2-3,13-14H2,1H3,(H,23,26)InChIKey
ORIRJUZJAOBORQ-UHFFFAOYSA-NSynonyms
butyl4((((1phenyl1H124triazol3yl)sulfanyl)acetyl)amino)benzoate
BUTYL4((2((1PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3
InChI=1SC21H22N4O3Sc123132820(27)1691117(121016)2319(26)142921221525(2421)187546818h41215H231314H21H3(H2326)
MFCD04150623
ZINC000002124140
ZINC02124140
ZINC2124140
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