Vitas-M small molecule compound
5-benzyl-4-cyclohexyl-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK735899
SMILES S=c1n(C2CCCCC2)c(nn1C1c2ccccc2Oc2c1cccc2)Cc1ccccc1
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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 C28H27N3OS MW 453.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3OS/c33-28-30(21-13-5-2-6-14-21)26(19-20-11-3-1-4-12-20)29-31(28)27-22-15-7-9-17-24(22)32-25-18-10-8-16-23(25)27/h1,3-4,7-12,15-18,21,27H,2,5-6,13-14,19H2InChIKey
VUCQOCOTXXDXOQ-UHFFFAOYSA-NSynonyms
5BENZYL4CYCLOHEXYL2(9HXANTHEN9YL)124TRIAZOLE3THIONE
5benzyl4cyclohexyl2(9Hxanthen9yl)24dihydro3H124triazole3thione
C1CCC(CC1)N2C(=NN(C2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)CC6=CC=CC=C6
InChI=1SC28H27N3OSc332830(21135261421)26(1920113141220)2931(28)272215791724(22)3225181081623(25)27h13471215182127H256131419H2
MFCD05855220
ZINC000012376601
ZINC12376601
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