Vitas-M small molecule compound
1-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STK578395
SMILES Cc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1ccccc1Cl
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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 C21H22ClN3OS MW 399.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3OS/c1-14-9-11-15(12-10-14)25-19(16-7-5-6-8-17(16)22)23-24-20(25)27-13-18(26)21(2,3)4/h5-12H,13H2,1-4H3InChIKey
LSLQPNCSDGHRFU-UHFFFAOYSA-NSynonyms
848989-19-51((5(2CHLOROPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((5(2chlorophenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((5(2chlorophenyl)4(ptolyl)4H124triazol3yl)thio)33dimethylbutan2one
1(5(2CHLOROPHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))33DIMETHYLBUTAN2ONE
848989195
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CC=CC=C3Cl
InChI=1SC21H22ClN3OSc11491115(121014)2519(16756817(16)22)232420(25)271318(26)21(23)4h512H13H214H3
MFCD05678807
ZINC000002446499
ZINC02446499
ZINC2446499
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