Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL300338
SMILES CCOc1cc(cc(c1OCC)OCC)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 C22H31N5O3S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O3S/c1-4-28-17-13-16(14-18(29-5-2)20(17)30-6-3)21-25-27-19(23-24-22(27)31-21)15-26-11-9-7-8-10-12-26/h13-14H,4-12,15H2,1-3H3InChIKey
XLSXSTXPGWTMAL-UHFFFAOYSA-NSynonyms
3(1AZEPANYLMETHYL)6(345TRIETHOXYPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6(345triethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
CCOC1=CC(=CC(=C1OCC)OCC)C2=NN3C(=NN=C3S2)CN4CCCCCC4
InChI=1SC22H31N5O3Sc1428171316(1418(2952)20(17)3063)21252719(232422(27)3121)152611978101226h1314H41215H213H3
MFCD22543747
ZINC000071260597
ZINC71260597
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