Vitas-M small molecule compound

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

Catalog ID
STL086158
SMILES Clc1ccc(cc1)Cc1sc2n(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 C17H20ClN5S MW 361.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN5S/c18-14-7-5-13(6-8-14)11-16-21-23-15(19-20-17(23)24-16)12-22-9-3-1-2-4-10-22/h5-8H,1-4,9-12H2
InChIKey
CEISVUQLKLVXTC-UHFFFAOYSA-N
Synonyms
1261016-98-1
1261016981
3(1AZEPANYLMETHYL)6(4CHLOROBENZYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6((4chlorophenyl)methyl)(124)triazolo(34b)(134)thiadiazole
3(azepan1ylmethyl)6(4chlorobenzyl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)CC4=CC=C(C=C4)Cl
InChI=1SC17H20ClN5Sc18147513(6814)1116212315(192017(23)2416)1222931241022h58H14912H2
MFCD18203607
ZINC000057524602
ZINC57524602

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Available files

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