Vitas-M small molecule compound
2-{[5-{[(3-chlorophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Catalog ID
STL186040
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C)nnc1CNc1cccc(c1)Cl
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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 C21H22ClN5OS MW 427.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5OS/c1-3-11-27-19(13-23-18-6-4-5-16(22)12-18)25-26-21(27)29-14-20(28)24-17-9-7-15(2)8-10-17/h3-10,12,23H,1,11,13-14H2,2H3,(H,24,28)InChIKey
OPAQEEAUCDROAB-UHFFFAOYSA-NSynonyms
538337-34-72((4ALLYL5(((3CHLOROPHENYL)AMINO)METHYL)4H124TRIAZOL3YL)THIO)N(PTOLYL)ACETAMIDE
2((5(((3chlorophenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(4methylphenyl)acetamide
2((5((3CHLOROANILINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4METHYLPHENYL)ACETAMIDE
2(5(((3CHLOROPHENYL)AMINO)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(4METHYLPHENYL)ACETAMIDE
538337347
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=CC=C3)Cl
InChI=1SC21H22ClN5OSc13112719(13231864516(22)1218)252621(27)291420(28)24179715(2)81017h3101223H1111314H22H3(H2428)
MFCD05154837
ZINC000002544631
ZINC02544631
ZINC2544631
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