Vitas-M small molecule compound
(5E)-5-[2-hydroxy-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzylidene]-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL419125
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C/c2cc(ccc2O)C23CC4CC(C3)CC(C2)C4)/C1=O
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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 C28H29NO3S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO3S2/c1-32-23-5-2-17(3-6-23)16-29-26(31)25(34-27(29)33)12-21-11-22(4-7-24(21)30)28-13-18-8-19(14-28)10-20(9-18)15-28/h2-7,11-12,18-20,30H,8-10,13-16H2,1H3/b25-12+InChIKey
JXDZCTFEOIDMRQ-BRJLIKDPSA-NSynonyms
(5E)5((5(1adamantyl)2hydroxyphenyl)methylidene)3((4methoxyphenyl)methyl)2sulfanylidene13thiazolidin4one
(5E)5(2hydroxy5(tricyclo(3311~37~)dec1yl)benzylidene)3(4methoxybenzyl)2thioxo13thiazolidin4one
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(C=CC(=C3)C45CC6CC(C4)CC(C6)C5)O)SC2=S
COc1ccc(cc1)CN1C(=S)SC(=Cc2cc(ccc2O)C23CC4CC(C3)CC(C2)C4)C1=O
InChI=1SC28H29NO3S2c132235217(3623)162926(31)25(3427(29)33)12211122(4724(21)30)281318819(1428)1020(918)1528h271112182030H8101316H21H3b2512+
ZINC000009310517
ZINC09310517
ZINC9310517
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