Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Catalog ID
STK250833
SMILES COc1cc(ccc1OC)c1cc(=O)n2c([nH]1)nc(n2)SCc1ccccc1
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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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-26-16-9-8-14(10-17(16)27-2)15-11-18(25)24-19(21-15)22-20(23-24)28-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,22,23)InChIKey
IKAMBTINPGSUIC-UHFFFAOYSA-NSynonyms
896667-96-22(benzylsulfanyl)5(34dimethoxyphenyl)(124)triazolo(15a)pyrimidin7(4H)one
2(benzylthio)5(34dimethoxyphenyl)(124)triazolo(15a)pyrimidin7(4H)one
2benzylsulfanyl5(34dimethoxyphenyl)1H(124)triazolo(15a)pyrimidin7one
5(34DIMETHOXYPHENYL)2(PHENYLMETHYLTHIO)48DIHYDRO124TRIAZOLO(15A)PYRIMIDIN7ONE
896667962
COC1=C(C=C(C=C1)C2=CC(=O)N3C(=N2)N=C(N3)SCC4=CC=CC=C4)OC
COc1cc(ccc1OC)c1cc(=O)n2c((nH)1)nc(n2)SCc1ccccc1
InChI=1SC20H18N4O3Sc126169814(1017(16)272)151118(25)2419(2115)2220(2324)2812136435713h311H12H212H3(H212223)
MFCD08088502
ZINC000100133417
ZINC100133417
ZINC18240892
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