Vitas-M small molecule compound
2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethanone
Catalog ID
STK267115
SMILES COc1ccc(cc1)Cc1nnc(n1C)SCC(=O)c1ccc(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 C20H21N3O2S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S/c1-14-4-8-16(9-5-14)18(24)13-26-20-22-21-19(23(20)2)12-15-6-10-17(25-3)11-7-15/h4-11H,12-13H2,1-3H3InChIKey
PKOJLJHBNVMFLN-UHFFFAOYSA-NSynonyms
2((5((4methoxyphenyl)methyl)4methyl124triazol3yl)sulfanyl)1(4methylphenyl)ethanone
2((5(4METHOXYBENZYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(4METHYLPHENYL)ETHANONE
2(5(4METHOXYBENZYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)1PTOLYLETHANONE
CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CC3=CC=C(C=C3)OC
InChI=1SC20H21N3O2Sc1144816(9514)18(24)132620222119(23(20)2)121561017(253)11715h411H1213H213H3
MFCD09267764
ZINC000009582627
ZINC09582627
ZINC9582627
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