Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide

Catalog ID
STL112249
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nnc1c1ccc(cc1)C(C)(C)C

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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 C23H25ClN4OS MW 441.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4OS/c1-5-14-28-21(16-6-8-17(9-7-16)23(2,3)4)26-27-22(28)30-15-20(29)25-19-12-10-18(24)11-13-19/h5-13H,1,14-15H2,2-4H3,(H,25,29)
InChIKey
DKNDGGJFBXFFLE-UHFFFAOYSA-N
Synonyms
538337-08-5
2((4ALLYL5(4(TERTBUTYL)PHENYL)4H124TRIAZOL3YL)THIO)N(4CHLOROPHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(4chlorophenyl)acetamide
2((5(4TERTBUTYLPHENYL)4PROP2EN1YL4H124TRIAZOL3YL)SULFANYL)N(4CHLOROPHENYL)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4CHLOROPHENYL)ACETAMIDE
2(5(4(TERTBUTYL)PHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(4CHLOROPHENYL)ACETAMIDE
538337085
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)Cl
InChI=1SC23H25ClN4OSc15142821(166817(9716)23(23)4)262722(28)301520(29)2519121018(24)111319h513H11415H224H3(H2529)
MFCD05154824
ZINC000002544620
ZINC02544620
ZINC2544620

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Available files

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