Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086134
SMILES Cc1ccc(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 C17H21N5S MW 327.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5S/c1-13-6-8-14(9-7-13)16-20-22-15(18-19-17(22)23-16)12-21-10-4-2-3-5-11-21/h6-9H,2-5,10-12H2,1H3InChIKey
PMARENFVWOPWHJ-UHFFFAOYSA-NSynonyms
3(1AZEPANYLMETHYL)6(4METHYLPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6(4methylphenyl)(124)triazolo(34b)(134)thiadiazole
CC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)CN4CCCCCC4
InChI=1SC17H21N5Sc1136814(9713)16202215(181917(22)2316)12211042351121h69H251012H21H3
MFCD18203597
ZINC000057524545
ZINC57524545
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