Vitas-M small molecule compound

3-(furan-2-yl)-6-{[3-(4-nitro-1H-pyrazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]methyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL401349
SMILES [O-][N+](=O)c1cnn(c1)C12CC3CC(C1)CC(C2)(C3)Cc1nn2c(s1)nnc2c1ccco1

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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 C21H21N7O3S MW 451.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7O3S/c29-28(30)15-10-22-26(11-15)21-7-13-4-14(8-21)6-20(5-13,12-21)9-17-25-27-18(16-2-1-3-31-16)23-24-19(27)32-17/h1-3,10-11,13-14H,4-9,12H2
InChIKey
NJBMIZPIOARONL-UHFFFAOYSA-N
Synonyms
1020723-40-3
(O)(N+)(=O)c1cnn(c1)C12CC3CC(C1)CC(C2)(C3)Cc1nn2c(s1)nnc2c1ccco1
1020723403
3(furan2yl)6((3(4nitro1Hpyrazol1yl)tricyclo(3311~37~)dec1yl)methyl)(124)triazolo(34b)(134)thiadiazole
3(furan2yl)6((3(4nitropyrazol1yl)1adamantyl)methyl)(124)triazolo(34b)(134)thiadiazole
C1C2CC3(CC1CC(C2)(C3)N4C=C(C=N4)(N+)(=O)(O))CC5=NN6C(=NN=C6S5)C7=CC=CO7
InChI=1SC21H21N7O3Sc2928(30)15102226(1115)21713414(821)620(5131221)917252718(162133116)232419(27)3217h1310111314H4912H2
ZINC000103160048

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Available files

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