Vitas-M small molecule compound
methyl 4-({[5-(5-bromo-2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Catalog ID
STL297377
SMILES C=CCn1c(SCc2ccc(cc2)C(=O)OC)nnc1c1cc(Br)ccc1O
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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 C20H18BrN3O3S MW 460.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O3S/c1-3-10-24-18(16-11-15(21)8-9-17(16)25)22-23-20(24)28-12-13-4-6-14(7-5-13)19(26)27-2/h3-9,11,25H,1,10,12H2,2H3InChIKey
LNFSTYLEPUZNPM-UHFFFAOYSA-NSynonyms
methyl4(((5(5bromo2hydroxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)benzoate
MFCD05991749
ZINC000002858739
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