Vitas-M small molecule compound
9-ethyl-8-methyl-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK311249
SMILES CCc1c(C)sc2c1c1nc(nn1cn2)c1ccc(cc1)Cn1ncc(c1)[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 C20H17N7O2S MW 419.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N7O2S/c1-3-16-12(2)30-20-17(16)19-23-18(24-26(19)11-21-20)14-6-4-13(5-7-14)9-25-10-15(8-22-25)27(28)29/h4-8,10-11H,3,9H2,1-2H3InChIKey
DGGKFNYHSUHZRZ-UHFFFAOYSA-NSynonyms
1005571-05-01005571050
9ethyl8methyl2(4((4nitro1Hpyrazol1yl)methyl)phenyl)thieno(32e)(124)triazolo(15c)pyrimidine
CCC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(C=C4)CN5C=C(C=N5)(N+)(=O)(O))C
CCc1c(C)sc2c1c1nc(nn1cn2)c1ccc(cc1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC20H17N7O2Sc131612(2)302017(16)192318(2426(19)112120)146413(5714)9251015(82225)27(28)29h481011H39H212H3
MFCD04059573
ZINC000002808841
ZINC02808841
ZINC2808841
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