Vitas-M small molecule compound
3-(3-bromophenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL139328
SMILES Brc1cccc(c1)c1nnc2n1nc(s2)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 C17H11BrN4O2S MW 415.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11BrN4O2S/c18-11-5-3-4-10(8-11)15-19-20-17-22(15)21-16(25-17)14-9-23-12-6-1-2-7-13(12)24-14/h1-8,14H,9H2InChIKey
RLLWLDRLPSDAFQ-UHFFFAOYSA-NSynonyms
3(3bromophenyl)6(23dihydro14benzodioxin2yl)(124)triazolo(34b)(134)thiadiazole
3(3bromophenyl)6(23dihydro14benzodioxin3yl)(124)triazolo(34b)(134)thiadiazole
C1C(OC2=CC=CC=C2O1)C3=NN4C(=NN=C4S3)C5=CC(=CC=C5)Br
InChI=1SC17H11BrN4O2Sc181153410(811)1519201722(15)2116(2517)1492312612713(12)2414h1814H9H2
MFCD11503049
ZINC000019796859
ZINC000019796860
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