Vitas-M small molecule compound
methyl 2-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL397465
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(cc1)Cn1nc(c(c1C)Br)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 C22H19BrN6O2S MW 511.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN6O2S/c1-11-16-20-25-19(27-29(20)10-24-21(16)32-18(11)22(30)31-4)15-7-5-14(6-8-15)9-28-13(3)17(23)12(2)26-28/h5-8,10H,9H2,1-4H3InChIKey
SCYSRIRCHMHXSR-UHFFFAOYSA-NSynonyms
1005663-82-01005663820
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(C=C4)CN5C(=C(C(=N5)C)Br)C)C(=O)OC
InChI=1SC22H19BrN6O2Sc11116202519(2729(20)102421(16)3218(11)22(30)314)157514(6815)92813(3)17(23)12(2)2628h5810H9H214H3
METHYL2(4((4BROMO35DIMETHYL1HPYRAZOL1YL)METHYL)PHENYL)9METHYLTHIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04133210
ZINC000002799078
ZINC02799078
ZINC2799078
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