Vitas-M small molecule compound
2-(azepan-1-ylmethyl)-5-[(2-methylphenoxy)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK231815
SMILES Cc1ccccc1OCc1nn(c(=S)n1c1ccccc1)CN1CCCCCC1
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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 C23H28N4OS MW 408.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4OS/c1-19-11-7-8-14-21(19)28-17-22-24-26(18-25-15-9-2-3-10-16-25)23(29)27(22)20-12-5-4-6-13-20/h4-8,11-14H,2-3,9-10,15-18H2,1H3InChIKey
TYMRGTSZMGQKHK-UHFFFAOYSA-NSynonyms
2(AZEPAN1YLMETHYL)5((2METHYLPHENOXY)METHYL)4PHENYL124TRIAZOLE3THIONE
2(azepan1ylmethyl)5((2methylphenoxy)methyl)4phenyl24dihydro3H124triazole3thione
CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCCC4
InChI=1SC23H28N4OSc11911781421(19)2817222426(182515923101625)23(29)27(22)20125461320h481114H239101518H21H3
MFCD05855400
ZINC000001426249
ZINC1426249
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