Vitas-M small molecule compound

5-[azepan-1-yl(2,3,4-trimethoxyphenyl)methyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

Catalog ID
STL425398
SMILES COc1c(ccc(c1OC)OC)C(c1sc2n(c1O)ncn2)N1CCCCCC1

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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 C20H26N4O4S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4S/c1-26-14-9-8-13(16(27-2)17(14)28-3)15(23-10-6-4-5-7-11-23)18-19(25)24-20(29-18)21-12-22-24/h8-9,12,15,25H,4-7,10-11H2,1-3H3
InChIKey
KQIAOMNZZAFXIM-UHFFFAOYSA-N
Synonyms
1676068-43-1
1676068431
5(azepan1yl(234trimethoxyphenyl)methyl)(13)thiazolo(32b)(124)triazol6ol
5(azepan1yl(234trimethoxyphenyl)methyl)thiazolo(32b)(124)triazol6ol
COC1=C(C(=C(C=C1)C(C2=C(N3C(=NC=N3)S2)O)N4CCCCCC4)OC)OC
InChI=1SC20H26N4O4Sc126149813(16(272)17(14)283)15(231064571123)1819(25)2420(2918)21122224h89121525H471011H213H3
MFCD28986635
ZINC000218491804
ZINC000218491880

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Available files

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