Vitas-M small molecule compound

N-(2-chloro-4,6-dimethylphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK587539
SMILES C=CCn1c(SCC(=O)Nc2c(C)cc(cc2Cl)C)nnc1COc1ccc(cc1)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 C23H25ClN4O2S MW 457.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O2S/c1-5-10-28-20(13-30-18-8-6-15(2)7-9-18)26-27-23(28)31-14-21(29)25-22-17(4)11-16(3)12-19(22)24/h5-9,11-12H,1,10,13-14H2,2-4H3,(H,25,29)
InChIKey
RTLJKWCWOHAMAS-UHFFFAOYSA-N
Synonyms
862126-94-1
2((4allyl5((ptolyloxy)methyl)4H124triazol3yl)thio)N(2chloro46dimethylphenyl)acetamide
862126941
CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3Cl)C)C
InChI=1SC23H25ClN4O2Sc15102820(1330188615(2)7918)262723(28)311421(29)252217(4)1116(3)1219(22)24h591112H1101314H224H3(H2529)
MFCD05687378
N(2chloro46dimethylphenyl)2((5((4methylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(2CHLORO46DIMETHYLPHENYL)2((5((4METHYLPHENOXY)METHYL)4PROP2EN1YL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO46DIMETHYLPHENYL)2((5((4METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO46DIMETHYLPHENYL)2((5(4METHYLPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO46DIMETHYLPHENYL)2(5((4METHYLPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009498793
ZINC09498793
ZINC9498793

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Available files

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