Vitas-M small molecule compound
9-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210432
SMILES CCOc1cc(ccc1O)C1C2=C(Nc3n1nc(n3)SCC)CC(CC2=O)(C)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 C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c1-5-28-16-9-12(7-8-14(16)26)18-17-13(10-21(3,4)11-15(17)27)22-19-23-20(29-6-2)24-25(18)19/h7-9,18,26H,5-6,10-11H2,1-4H3,(H,22,23,24)InChIKey
BJORXDNTJYJSGB-UHFFFAOYSA-NSynonyms
727403-99-8727403998
9(3ethoxy4hydroxyphenyl)2(ethylsulfanyl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(3ethoxy4hydroxyphenyl)2(ethylthio)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(3ethoxy4hydroxyphenyl)2ethylsulfanyl66dimethyl1579tetrahydro(124)triazolo(51b)quinazolin8one
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)N=C4N2NC(=N4)SCC)O
InChI=1SC21H26N4O3Sc152816912(7814(16)26)181713(1021(34)1115(17)27)22192320(2962)2425(18)19h791826H561011H214H3(H222324)
MFCD06193277
ZINC000004436357
ZINC000004436359
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