Vitas-M small molecule compound

6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL300351
SMILES COc1cc(cc(c1OC)OC)c1nnc2n1nc(s2)C12CC3CC(C2)CC(C1)C3

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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 C22H26N4O3S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S/c1-27-16-7-15(8-17(28-2)18(16)29-3)19-23-24-21-26(19)25-20(30-21)22-9-12-4-13(10-22)6-14(5-12)11-22/h7-8,12-14H,4-6,9-11H2,1-3H3
InChIKey
ABAGFRFTTOMYMO-UHFFFAOYSA-N
Synonyms

6(1ADAMANTYL)3(345TRIMETHOXYPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
6(tricyclo(3311~37~)dec1yl)3(345trimethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(S3)C45CC6CC(C4)CC(C6)C5
InChI=1SC22H26N4O3Sc12716715(817(282)18(16)293)1923242126(19)2520(3021)22912413(1022)614(512)1122h781214H46911H213H3
ZINC000095471830
ZINC95471830

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Available files

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