Vitas-M small molecule compound
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK311222
SMILES Cc1sc2c(c1C)c1nc(nn1cn2)c1cccc(c1)Cn1nc(c(c1C)[N+](=O)[O-])C
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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/c1-11-14(4)31-21-17(11)20-23-19(25-27(20)10-22-21)16-7-5-6-15(8-16)9-26-13(3)18(28(29)30)12(2)24-26/h5-8,10H,9H2,1-4H3InChIKey
HPHXEIHUWQCOFP-UHFFFAOYSA-NSynonyms
1005659-27-71005659277
2(3((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)89dimethylthieno(32e)(124)triazolo(15c)pyrimidine
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC(=CC=C4)CN5C(=C(C(=N5)C)(N+)(=O)(O))C)C
Cc1sc2c(c1C)c1nc(nn1cn2)c1cccc(c1)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC21H19N7O2Sc11114(4)312117(11)202319(2527(20)102221)1675615(816)92613(3)18(28(29)30)12(2)2426h5810H9H214H3
MFCD04059445
ZINC000002808766
ZINC02808766
ZINC2808766
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