Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086167
SMILES Clc1ccc(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 C17H20ClN5OS MW 377.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN5OS/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,1-4,9-12H2InChIKey
LOQXAOTTZZPMKM-UHFFFAOYSA-NSynonyms
1246075-90-0(3(1AZEPANYLMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)METHYL4CHLOROPHENYLETHER
1246075900
3(azepan1ylmethyl)6((4chlorophenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)COC4=CC=C(C=C4)Cl
InChI=1SC17H20ClN5OSc18135714(8613)241216212315(192017(23)2516)1122931241022h58H14912H2
MFCD18066798
ZINC000049545945
ZINC49545945
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