Vitas-M small molecule compound
5-{3-[(2-bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173904
SMILES Brc1ccccc1OCc1cccc(c1)c1nnc(n1C(c1ccccc1)C)S
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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 C23H20BrN3OS MW 466.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN3OS/c1-16(18-9-3-2-4-10-18)27-22(25-26-23(27)29)19-11-7-8-17(14-19)15-28-21-13-6-5-12-20(21)24/h2-14,16H,15H2,1H3,(H,26,29)InChIKey
XVINFJDTGMRLBT-UHFFFAOYSA-NSynonyms
828285-09-23(3((2BROMOPHENOXY)METHYL)PHENYL)4(1PHENYLETHYL)1H124TRIAZOLE5THIONE
5(3((2bromophenoxy)methyl)phenyl)4(1phenylethyl)4H124triazole3thiol
828285092
CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=CC=C4Br
InChI=1SC23H20BrN3OSc116(1893241018)2722(252623(27)29)19117817(1419)15282113651220(21)24h21416H15H21H3(H2629)
MFCD04056487
ZINC000002791932
ZINC000002791933
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