Vitas-M small molecule compound
methyl 2-{4-[(2,6-dimethylphenoxy)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL178445
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(cc1)COc1c(C)cccc1C
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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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c1-14-6-5-7-15(2)20(14)32-12-17-8-10-18(11-9-17)22-27-23-19-16(3)21(25(30)31-4)33-24(19)26-13-29(23)28-22/h5-11,13H,12H2,1-4H3InChIKey
VVBWQNNINBISII-UHFFFAOYSA-NSynonyms
832126-68-8832126688
CC1=C(C(=CC=C1)C)OCC2=CC=C(C=C2)C3=NN4C=NC5=C(C4=N3)C(=C(S5)C(=O)OC)C
InChI=1SC25H22N4O3Sc11465715(2)20(14)32121781018(11917)2227231916(3)21(25(30)314)3324(19)261329(23)2822h51113H12H214H3
methyl2(4((26dimethylphenoxy)methyl)phenyl)9methylthieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04135140
ZINC000002804541
ZINC02804541
ZINC2804541
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