Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086143
SMILES Fc1ccc(cc1)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 C16H18FN5S MW 331.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18FN5S/c17-13-7-5-12(6-8-13)15-20-22-14(18-19-16(22)23-15)11-21-9-3-1-2-4-10-21/h5-8H,1-4,9-11H2InChIKey
YSWVFNABAGXAEY-UHFFFAOYSA-NSynonyms
1246075-78-41246075784
3(1AZEPANYLMETHYL)6(4FLUOROPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6(4fluorophenyl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)F
InChI=1SC16H18FN5Sc17137512(6813)15202214(181916(22)2315)1121931241021h58H14911H2
MFCD18066976
ZINC000049546172
ZINC49546172
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