Vitas-M small molecule compound
(5E)-5-(2-bromobenzylidene)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817018
SMILES Brc1ccccc1/C=c\1/sc2n(c1=O)nc(n2)C1COc2c(O1)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 C19H12BrN3O3S MW 442.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrN3O3S/c20-12-6-2-1-5-11(12)9-16-18(24)23-19(27-16)21-17(22-23)15-10-25-13-7-3-4-8-14(13)26-15/h1-9,15H,10H2/b16-9+InChIKey
QBAIKAJRRZLNOM-CXUHLZMHSA-NSynonyms
(5E)5((2BROMOPHENYL)METHYLIDENE)2(23DIHYDRO14BENZODIOXIN3YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(2bromobenzylidene)2(23dihydro14benzodioxin2yl)(13)thiazolo(32b)(124)triazol6(5H)one
Brc1ccccc1C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
C1C(OC2=CC=CC=C2O1)C3=NN4C(=O)C(=CC5=CC=CC=C5Br)SC4=N3
InChI=1SC19H12BrN3O3Sc2012621511(12)91618(24)2319(2716)2117(2223)15102513734814(13)2615h1915H10H2b169+
MFCD04446214
ZINC000016805676
ZINC000016805678
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