Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(3-bromophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086137
SMILES Brc1cccc(c1)c1nn2c(s1)nnc2CN1CCCCCC1
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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 C16H18BrN5S MW 392.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN5S/c17-13-7-5-6-12(10-13)15-20-22-14(18-19-16(22)23-15)11-21-8-3-1-2-4-9-21/h5-7,10H,1-4,8-9,11H2InChIKey
QPLHGXUWTGXZLP-UHFFFAOYSA-NSynonyms
1246064-42-51246064425
3(1AZEPANYLMETHYL)6(3BROMOPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6(3bromophenyl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)C4=CC(=CC=C4)Br
InChI=1SC16H18BrN5Sc171375612(1013)15202214(181916(22)2315)112183124921h5710H148911H2
MFCD18067920
ZINC000049547498
ZINC49547498
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