Vitas-M small molecule compound

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

Catalog ID
STL086140
SMILES Clc1ccc(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 C16H18ClN5S MW 347.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN5S/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,1-4,9-11H2
InChIKey
QAGHURMCJVCBJM-UHFFFAOYSA-N
Synonyms
1246069-60-2
1246069602
3(1AZEPANYLMETHYL)6(4CHLOROPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6(4chlorophenyl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)Cl
InChI=1SC16H18ClN5Sc17137512(6813)15202214(181916(22)2315)1121931241021h58H14911H2
MFCD18067216
ZINC000049546503
ZINC49546503

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Available files

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