Vitas-M small molecule compound
1-(3,4-dimethylphenyl)-5-{[1-(2-fluorobenzyl)-3-nitro-1H-1,2,4-triazol-5-yl]sulfanyl}-1H-tetrazole
Catalog ID
STK777989
SMILES Cc1cc(ccc1C)n1nnnc1Sc1nc(nn1Cc1ccccc1F)[N+](=O)[O-]
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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 C18H15FN8O2S MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15FN8O2S/c1-11-7-8-14(9-12(11)2)26-18(21-23-24-26)30-17-20-16(27(28)29)22-25(17)10-13-5-3-4-6-15(13)19/h3-9H,10H2,1-2H3InChIKey
FCHLGCOVFJWNJK-UHFFFAOYSA-NSynonyms
1(34dimethylphenyl)5((1(2fluorobenzyl)3nitro1H124triazol5yl)sulfanyl)1Htetrazole
1(34DIMETHYLPHENYL)5((2((2FLUOROPHENYL)METHYL)5NITRO124TRIAZOL3YL)SULFANYL)TETRAZOLE
CC1=C(C=C(C=C1)N2C(=NN=N2)SC3=NC(=NN3CC4=CC=CC=C4F)(N+)(=O)(O))C
Cc1cc(ccc1C)n1nnnc1Sc1nc(nn1Cc1ccccc1F)(N+)(=O)(O)
InChI=1SC18H15FN8O2Sc1117814(912(11)2)2618(21232426)30172016(27(28)29)2225(17)1013534615(13)19h39H10H212H3
MFCD05855589
ZINC000001078272
ZINC01078272
ZINC1078272
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