Vitas-M small molecule compound
2-[3-{[(3-chloro-2-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-phenylethanone
Catalog ID
STL271723
SMILES C=CCn1c(CNc2cccc(c2C)Cl)nn(c1=S)CC(=O)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 C21H21ClN4OS MW 412.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS/c1-3-12-25-20(13-23-18-11-7-10-17(22)15(18)2)24-26(21(25)28)14-19(27)16-8-5-4-6-9-16/h3-11,23H,1,12-14H2,2H3InChIKey
PJZFMMGTEBSBOG-UHFFFAOYSA-NSynonyms
2(3(((3chloro2methylphenyl)amino)methyl)4(prop2en1yl)5thioxo45dihydro1H124triazol1yl)1phenylethanone
2(3((3CHLORO2METHYLANILINO)METHYL)4PROP2ENYL5SULFANYLIDENE124TRIAZOL1YL)1PHENYLETHANONE
CC1=C(C=CC=C1Cl)NCC2=NN(C(=S)N2CC=C)CC(=O)C3=CC=CC=C3
InChI=1SC21H21ClN4OSc13122520(1323181171017(22)15(18)2)2426(21(25)28)1419(27)168546916h31123H11214H22H3
MFCD06736120
ZINC000008548488
ZINC08548488
ZINC8548488
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