Vitas-M small molecule compound
2-(azepan-1-ylmethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK733044
SMILES COc1ccc(cc1)c1nn(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 C22H26N4OS MW 394.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4OS/c1-27-20-13-11-18(12-14-20)21-23-25(17-24-15-7-2-3-8-16-24)22(28)26(21)19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-17H2,1H3InChIKey
ZJTNSYUZTRNFLE-UHFFFAOYSA-NSynonyms
462077-23-21(azepan1ylmethyl)3(4methoxyphenyl)4phenyl1H124triazole5(4H)thione
2(AZEPAN1YLMETHYL)5(4METHOXYPHENYL)4PHENYL124TRIAZOLE3THIONE
2(azepan1ylmethyl)5(4methoxyphenyl)4phenyl24dihydro3H124triazole3thione
462077232
COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCCC4
InChI=1SC22H26N4OSc12720131118(121420)212325(17241572381624)22(28)26(21)1995461019h46914H23781517H21H3
MFCD01025398
ZINC000000662771
ZINC662771
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Check stock on Vitas-MAvailable files
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