Vitas-M small molecule compound

6-(3,5-di-tert-butylphenyl)-3-(morpholin-4-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL300309
SMILES CC(c1cc(cc(c1)c1nn2c(s1)nnc2CN1CCOCC1)C(C)(C)C)(C)C

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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 C22H31N5OS MW 413.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5OS/c1-21(2,3)16-11-15(12-17(13-16)22(4,5)6)19-25-27-18(23-24-20(27)29-19)14-26-7-9-28-10-8-26/h11-13H,7-10,14H2,1-6H3
InChIKey
NTDYDOZPHGCIRW-UHFFFAOYSA-N
Synonyms

4((6(35ditertbutylphenyl)(124)triazolo(34b)(134)thiadiazol3yl)methyl)morpholine
6(35DITERTBUTYLPHENYL)3(4MORPHOLINYLMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
6(35ditertbutylphenyl)3(morpholin4ylmethyl)(124)triazolo(34b)(134)thiadiazole
CC(C)(C)C1=CC(=CC(=C1)C2=NN3C(=NN=C3S2)CN4CCOCC4)C(C)(C)C
InChI=1SC22H31N5OSc121(23)161115(1217(1316)22(45)6)19252718(232420(27)2919)1426792810826h1113H71014H216H3
MFCD22375590
ZINC000071260499
ZINC71260499

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Available files

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