Vitas-M small molecule compound
methyl 2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL397989
SMILES COC(=O)c1sc2c(c1C)c1nc(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 C22H19N7O4S MW 477.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N7O4S/c1-11-16-20-24-19(26-28(20)10-23-21(16)34-18(11)22(30)33-4)15-7-5-14(6-8-15)9-27-13(3)17(29(31)32)12(2)25-27/h5-8,10H,9H2,1-4H3InChIKey
OKSNGPJHSFYQPP-UHFFFAOYSA-NSynonyms
1005702-38-41005702384
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(C=C4)CN5C(=C(C(=N5)C)(N+)(=O)(O))C)C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(cc1)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC22H19N7O4Sc11116202419(2628(20)102321(16)3418(11)22(30)334)157514(6815)92713(3)17(29(31)32)12(2)2527h5810H9H214H3
METHYL2(4((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)PHENYL)9METHYLTHIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04133333
ZINC000002799292
ZINC02799292
ZINC2799292
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