Vitas-M small molecule compound

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

Catalog ID
STL221361
SMILES [O-][N+](=O)c1cccc(c1C)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 C20H21N5O2S MW 395.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O2S/c1-11-15(3-2-4-16(11)25(26)27)17-23-24-18(21-22-19(24)28-17)20-8-12-5-13(9-20)7-14(6-12)10-20/h2-4,12-14H,5-10H2,1H3
InChIKey
SBSYVFHODYTKPB-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cccc(c1C)c1nn2c(s1)nnc2C12CC3CC(C2)CC(C1)C3
3(1adamantyl)6(2methyl3nitrophenyl)(124)triazolo(34b)(134)thiadiazole
6(2methyl3nitrophenyl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
CC1=C(C=CC=C1(N+)(=O)(O))C2=NN3C(=NN=C3S2)C45CC6CC(C4)CC(C6)C5
InChI=1SC20H21N5O2Sc11115(32416(11)25(26)27)17232418(212219(24)2817)20812513(920)714(612)1020h241214H510H21H3
ZINC000080346166
ZINC80346166

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Available files

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