Vitas-M small molecule compound
2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK314704
SMILES COc1ccc(cc1COc1ccc(c(c1)C)Cl)c1nc2n(n1)cnc1c2sc2c1c(C)cc(n2)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 C27H22ClN5O2S MW 516.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN5O2S/c1-14-10-19(6-7-20(14)28)35-12-18-11-17(5-8-21(18)34-4)25-31-26-24-23(29-13-33(26)32-25)22-15(2)9-16(3)30-27(22)36-24/h5-11,13H,12H2,1-4H3InChIKey
GUHWKYGDZHMJNI-UHFFFAOYSA-NSynonyms
866817-38-12(3((4chloro3methylphenoxy)methyl)4methoxyphenyl)79dimethylpyrido(3245)thieno(23e)(124)triazolo(15c)pyrimidine
866817381
CC1=CC(=NC2=C1C3=C(S2)C4=NC(=NN4C=N3)C5=CC(=C(C=C5)OC)COC6=CC(=C(C=C6)Cl)C)C
InChI=1SC27H22ClN5O2Sc1141019(6720(14)28)3512181117(5821(18)344)2531262423(291333(26)3225)2215(2)916(3)3027(22)3624h51113H12H214H3
MFCD06196938
ZINC000013643547
ZINC13643547
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