Vitas-M small molecule compound
methyl 2-(1-benzyl-3-nitro-1H-pyrazol-5-yl)-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL392161
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1cc(nn1Cc1ccccc1)[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 C20H15N7O4S MW 449.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N7O4S/c1-11-15-18-22-17(24-26(18)10-21-19(15)32-16(11)20(28)31-2)13-8-14(27(29)30)23-25(13)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3InChIKey
IBTZUBDXCURNNH-UHFFFAOYSA-NSynonyms
1005650-46-31005650463
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC(=NN4CC5=CC=CC=C5)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1cc(nn1Cc1ccccc1)(N+)(=O)(O)
InChI=1SC20H15N7O4Sc11115182217(2426(18)102119(15)3216(11)20(28)312)13814(27(29)30)2325(13)9126435712h3810H9H212H3
methyl2(1benzyl3nitro1Hpyrazol5yl)9methylthieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04051643
ZINC000002793627
ZINC02793627
ZINC2793627
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