Vitas-M small molecule compound
2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-ethyl-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK311281
SMILES CCc1c(C)sc2c1c1nc(nn1cn2)c1ccc(cc1)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 C22H21N7O2S MW 447.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N7O2S/c1-5-17-14(4)32-22-18(17)21-24-20(26-28(21)11-23-22)16-8-6-15(7-9-16)10-27-13(3)19(29(30)31)12(2)25-27/h6-9,11H,5,10H2,1-4H3InChIKey
PIOYZXSDGLFJKI-UHFFFAOYSA-NSynonyms
1005659-44-81005659448
2(4((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)9ethyl8methylthieno(32e)(124)triazolo(15c)pyrimidine
CCC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(C=C4)CN5C(=C(C(=N5)C)(N+)(=O)(O))C)C
CCc1c(C)sc2c1c1nc(nn1cn2)c1ccc(cc1)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC22H21N7O2Sc151714(4)322218(17)212420(2628(21)112322)168615(7916)102713(3)19(29(30)31)12(2)2527h6911H510H214H3
MFCD04059767
ZINC000002808934
ZINC02808934
ZINC2808934
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