Vitas-M small molecule compound
2-{4-[(4-bromobenzyl)oxy]-3-ethoxyphenyl}-1,3-benzothiazole
Catalog ID
STL376281
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Br)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 C22H18BrNO2S MW 440.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO2S/c1-2-25-20-13-16(22-24-18-5-3-4-6-21(18)27-22)9-12-19(20)26-14-15-7-10-17(23)11-8-15/h3-13H,2,14H2,1H3InChIKey
FCNMBEPQQTUPQE-UHFFFAOYSA-NSynonyms
2(4((4bromobenzyl)oxy)3ethoxyphenyl)13benzothiazole
2(4((4bromophenyl)methoxy)3ethoxyphenyl)13benzothiazole
CCOC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)Br
InChI=1SC22H18BrNO2Sc1225201316(222418534621(18)2722)91219(20)26141571017(23)11815h313H214H21H3
MFCD04370424
ZINC000009234916
ZINC09234916
ZINC9234916
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