Vitas-M small molecule compound
4-methoxy-N-({4-methyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK139685
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCc1ccc(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 C20H22N4O2S MW 382.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S/c1-14-4-6-15(7-5-14)13-27-20-23-22-18(24(20)2)12-21-19(25)16-8-10-17(26-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,21,25)InChIKey
XNHPUIATKAGHGG-UHFFFAOYSA-NSynonyms
4METHOXYN((4METHYL5((4METHYLBENZYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN((4METHYL5((4METHYLPHENYL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC=C(C=C1)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC
InChI=1SC20H22N4O2Sc1144615(7514)132720232218(24(20)2)122119(25)1681017(263)11916h411H1213H213H3(H2125)
MFCD05991991
ZINC000002859329
ZINC02859329
ZINC2859329
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