Vitas-M small molecule compound

3-(azepan-1-ylmethyl)-6-[(4-fluorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL086169
SMILES Fc1ccc(cc1)OCc1sc2n(n1)c(nn2)CN1CCCCCC1

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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 C17H20FN5OS MW 361.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20FN5OS/c18-13-5-7-14(8-6-13)24-12-16-21-23-15(19-20-17(23)25-16)11-22-9-3-1-2-4-10-22/h5-8H,1-4,9-12H2
InChIKey
KKEAAOVAEWAKDX-UHFFFAOYSA-N
Synonyms
1260916-18-4
(3(1AZEPANYLMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)METHYL4FLUOROPHENYLETHER
1260916184
3(azepan1ylmethyl)6((4fluorophenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)COC4=CC=C(C=C4)F
InChI=1SC17H20FN5OSc18135714(8613)241216212315(192017(23)2516)1122931241022h58H14912H2
MFCD18203617
ZINC000057524653
ZINC57524653

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Available files

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