Vitas-M small molecule compound

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

Catalog ID
STL086152
SMILES CCOc1ccc(cc1)c1sc2n(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 C18H23N5OS MW 357.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N5OS/c1-2-24-15-9-7-14(8-10-15)17-21-23-16(19-20-18(23)25-17)13-22-11-5-3-4-6-12-22/h7-10H,2-6,11-13H2,1H3
InChIKey
VORZQGCUKZVKHX-UHFFFAOYSA-N
Synonyms

3(azepan1ylmethyl)6(4ethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
4(3(1AZEPANYLMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)PHENYLETHYLETHER
CCOC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)CN4CCCCCC4
InChI=1SC18H23N5OSc1224159714(81015)17212316(192018(23)2517)13221153461222h710H261113H21H3
MFCD18203603
ZINC000057524582
ZINC57524582

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Available files

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