Vitas-M small molecule compound

9-ethyl-8-methyl-2-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STL403844
SMILES CCc1c(C)sc2c1c1nc(nn1cn2)c1ccc(cc1)Cn1nc(cc1C)[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 C21H19N7O2S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N7O2S/c1-4-16-13(3)31-21-18(16)20-23-19(25-27(20)11-22-21)15-7-5-14(6-8-15)10-26-12(2)9-17(24-26)28(29)30/h5-9,11H,4,10H2,1-3H3
InChIKey
BSHXPLDTHKJQJP-UHFFFAOYSA-N
Synonyms
1005610-59-2
1005610592
9ethyl8methyl2(4((5methyl3nitro1Hpyrazol1yl)methyl)phenyl)thieno(32e)(124)triazolo(15c)pyrimidine
CCC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(C=C4)CN5C(=CC(=N5)(N+)(=O)(O))C)C
CCc1c(C)sc2c1c1nc(nn1cn2)c1ccc(cc1)Cn1nc(cc1C)(N+)(=O)(O)
InChI=1SC21H19N7O2Sc141613(3)312118(16)202319(2527(20)112221)157514(6815)102612(2)917(2426)28(29)30h5911H410H213H3
MFCD04140332
ZINC000002731136
ZINC02731136
ZINC2731136

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Available files

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