Vitas-M small molecule compound
4-benzyl-5-(2-phenylethyl)-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK735903
SMILES S=c1n(Cc2ccccc2)c(nn1C1c2ccccc2Oc2c1cccc2)CCc1ccccc1
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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 C30H25N3OS MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3OS/c35-30-32(21-23-13-5-2-6-14-23)28(20-19-22-11-3-1-4-12-22)31-33(30)29-24-15-7-9-17-26(24)34-27-18-10-8-16-25(27)29/h1-18,29H,19-21H2InChIKey
ANGJPZYOFXXZMP-UHFFFAOYSA-NSynonyms
4benzyl5(2phenylethyl)2(9Hxanthen9yl)124triazole3thione
4benzyl5(2phenylethyl)2(9Hxanthen9yl)24dihydro3H124triazole3thione
4BENZYL5PHENETHYL2(9HXANTHEN9YL)124TRIAZOLE3THIONE
C1=CC=C(C=C1)CCC2=NN(C(=S)N2CC3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46
InChI=1SC30H25N3OSc353032(2123135261423)28(201922113141222)3133(30)292415791726(24)3427181081625(27)29h11829H1921H2
MFCD05855226
ZINC000012376344
ZINC12376344
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