Vitas-M small molecule compound
3-[(4-tert-butylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-1H-1,2,4-triazole
Catalog ID
STK687350
SMILES COc1ccccc1c1[nH]nc(n1)SCc1ccc(cc1)C(C)(C)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 C20H23N3OS MW 353.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3OS/c1-20(2,3)15-11-9-14(10-12-15)13-25-19-21-18(22-23-19)16-7-5-6-8-17(16)24-4/h5-12H,13H2,1-4H3,(H,21,22,23)InChIKey
ZTMIPZFETNZGRE-UHFFFAOYSA-NSynonyms
3((4TERTBUTYLBENZYL)SULFANYL)5(2METHOXYPHENYL)1H124TRIAZOLE
3((4TERTBUTYLPHENYL)METHYLSULFANYL)5(2METHOXYPHENYL)1H124TRIAZOLE
CC(C)(C)C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3OC
COc1ccccc1c1(nH)nc(n1)SCc1ccc(cc1)C(C)(C)C
InChI=1SC20H23N3OSc120(23)1511914(101215)1325192118(222319)16756817(16)244h512H13H214H3(H212223)
MFCD06618435
ZINC000004751441
ZINC04751441
ZINC4751441
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