Vitas-M small molecule compound

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

Catalog ID
STL193439
SMILES CCOc1cc(cc(c1OCC)OCC)c1nn2c(s1)nnc2C12CC3CC(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 C25H32N4O3S MW 468.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O3S/c1-4-30-19-10-18(11-20(31-5-2)21(19)32-6-3)22-28-29-23(26-27-24(29)33-22)25-12-15-7-16(13-25)9-17(8-15)14-25/h10-11,15-17H,4-9,12-14H2,1-3H3
InChIKey
CXMFGKHLLJPNDZ-UHFFFAOYSA-N
Synonyms

3(1adamantyl)6(345triethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
3(tricyclo(3311~37~)dec1yl)6(345triethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
CCOC1=CC(=CC(=C1OCC)OCC)C2=NN3C(=NN=C3S2)C45CC6CC(C4)CC(C6)C5
InChI=1SC25H32N4O3Sc1430191018(1120(3152)21(19)3263)22282923(262724(29)3322)251215716(1325)917(815)1425h10111517H491214H213H3
MFCD22391034
ZINC000072333552
ZINC72333552

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Available files

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