Vitas-M small molecule compound
(2E)-3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Catalog ID
STL308206
SMILES COc1ccc(cc1CSc1nc2c(s1)cccc2)/C=C/C(=O)C12CC3CC(C2)CC(C1)C3
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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 C28H29NO2S2 MW 475.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO2S2/c1-31-24-8-6-18(13-22(24)17-32-27-29-23-4-2-3-5-25(23)33-27)7-9-26(30)28-14-19-10-20(15-28)12-21(11-19)16-28/h2-9,13,19-21H,10-12,14-17H2,1H3/b9-7+InChIKey
FLDSHQHEAPQGIV-VQHVLOKHSA-NSynonyms
376622-97-8(2E)3(3((13benzothiazol2ylsulfanyl)methyl)4methoxyphenyl)1(tricyclo(3311~37~)dec1yl)prop2en1one
(E)1((3r5r7r)adamantan1yl)3(3((benzo(d)thiazol2ylthio)methyl)4methoxyphenyl)prop2en1one
(E)1(1ADAMANTYL)3(3(13BENZOTHIAZOL2YLSULFANYLMETHYL)4METHOXYPHENYL)PROP2EN1ONE
376622978
COC1=C(C=C(C=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)CSC5=NC6=CC=CC=C6S5
COc1ccc(cc1CSc1nc2c(s1)cccc2)C=CC(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC28H29NO2S2c131248618(1322(24)1732272923423525(23)3327)7926(30)2814191020(1528)1221(1119)1628h29131921H10121417H21H3b97+
ZINC000009065031
ZINC09065031
ZINC9065031
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