Vitas-M small molecule compound
N-benzyl-2-({5-[1-(2-chloro-5-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK493681
SMILES O=C(NCc1ccccc1)CSc1nnc(n1C)C(Oc1cc(C)ccc1Cl)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 C21H23ClN4O2S MW 430.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O2S/c1-14-9-10-17(22)18(11-14)28-15(2)20-24-25-21(26(20)3)29-13-19(27)23-12-16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,23,27)InChIKey
DQACQXVSUBNOEX-UHFFFAOYSA-NSynonyms
2(5((2CHLORO5METHYLPHENOXY)ETHYL)4METHYL(124TRIAZOL3YLTHIO))NBENZYLACETAMIDE
CC1=CC(=C(C=C1)Cl)OC(C)C2=NN=C(N2C)SCC(=O)NCC3=CC=CC=C3
InChI=1SC21H23ClN4O2Sc11491017(22)18(1114)2815(2)20242521(26(20)3)291319(27)2312167546816h41115H1213H213H3(H2327)
MFCD06119755
Nbenzyl2((5(1(2chloro5methylphenoxy)ethyl)4methyl124triazol3yl)sulfanyl)acetamide
Nbenzyl2((5(1(2chloro5methylphenoxy)ethyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000013851263
ZINC000013851265
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