Vitas-M small molecule compound
3,3-dimethyl-1-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
Catalog ID
STL144807
SMILES Cc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1cccc(c1)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 C22H25N3OS MW 379.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3OS/c1-15-9-11-18(12-10-15)25-20(17-8-6-7-16(2)13-17)23-24-21(25)27-14-19(26)22(3,4)5/h6-13H,14H2,1-5H3InChIKey
YWQSSPWYFQWTSM-UHFFFAOYSA-NSynonyms
861644-61-333DIMETHYL1((5(3METHYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)BUTAN2ONE
33dimethyl1((5(3methylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)butan2one
33dimethyl1((5(mtolyl)4(ptolyl)4H124triazol3yl)thio)butan2one
33DIMETHYL1(4(4METHYLPHENYL)5(3METHYLPHENYL)(124TRIAZOL3YLTHIO))BUTAN2ONE
861644613
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CC(=CC=C3)C
InChI=1SC22H25N3OSc11591118(121015)2520(1786716(2)1317)232421(25)271419(26)22(34)5h613H14H215H3
MFCD05518261
ZINC000005484549
ZINC05484549
ZINC5484549
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