Vitas-M small molecule compound
2-{(E)-2-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]ethenyl}-1,3-benzothiazole
Catalog ID
STK807820
SMILES COc1ccc(cc1S(=O)(=O)N1CCCCCC1)/C=C/c1nc2c(s1)cccc2
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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 C22H24N2O3S2 MW 428.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3S2/c1-27-19-12-10-17(11-13-22-23-18-8-4-5-9-20(18)28-22)16-21(19)29(25,26)24-14-6-2-3-7-15-24/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3/b13-11+InChIKey
UOWQXDHEFAGUNS-ACCUITESSA-NSynonyms
877818-63-8((5((1E)2BENZOTHIAZOL2YLVINYL)2METHOXYPHENYL)SULFONYL)AZAPERHYDROEPINE
2((E)2(3(azepan1ylsulfonyl)4methoxyphenyl)ethenyl)13benzothiazole
877818638
COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4
COc1ccc(cc1S(=O)(=O)N1CCCCCC1)C=Cc1nc2c(s1)cccc2
InChI=1SC22H24N2O3S2c12719121017(1113222318845920(18)2822)1621(19)29(2526)241462371524h4581316H23671415H21H3b1311+
MFCD06407525
ZINC000010381788
ZINC10381788
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