Vitas-M small molecule compound
4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-methoxybenzoate
Catalog ID
STK177411
SMILES COc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1ccc(cc1)Br
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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 C20H15BrN2O4S MW 459.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O4S/c1-25-17-10-6-15(7-11-17)19(24)26-12-2-3-13-28-20-23-22-18(27-20)14-4-8-16(21)9-5-14/h4-11H,12-13H2,1H3InChIKey
JFPRJPAKNWPVAI-UHFFFAOYSA-NSynonyms
4((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)2BUTYNYL4METHOXYBENZOATE
4((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL4METHOXYBENZOATE
4((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL4METHOXYBENZOATE
COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)Br
InChI=1SC20H15BrN2O4Sc1251710615(71117)19(24)261223132820232218(2720)144816(21)9514h411H1213H21H3
MFCD03248598
ZINC000002812872
ZINC02812872
ZINC2812872
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