Vitas-M small molecule compound
2-(ethylsulfanyl)-9-(4-hydroxy-3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210433
SMILES CCSc1nn2c(n1)NC1=C(C2c2ccc(c(c2)OC)O)C(=O)CC(C1)(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 C20H24N4O3S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O3S/c1-5-28-19-22-18-21-12-9-20(2,3)10-14(26)16(12)17(24(18)23-19)11-6-7-13(25)15(8-11)27-4/h6-8,17,25H,5,9-10H2,1-4H3,(H,21,22,23)InChIKey
VRLTVXOZZQCPHM-UHFFFAOYSA-NSynonyms
727404-00-42(ethylsulfanyl)9(4hydroxy3methoxyphenyl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(ethylthio)9(4hydroxy3methoxyphenyl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2ethylsulfanyl9(4hydroxy3methoxyphenyl)66dimethyl1579tetrahydro(124)triazolo(51b)quinazolin8one
727404004
CCSC1=NC2=NC3=C(C(N2N1)C4=CC(=C(C=C4)O)OC)C(=O)CC(C3)(C)C
InChI=1SC20H24N4O3Sc15281922182112920(23)1014(26)16(12)17(24(18)2319)116713(25)15(811)274h681725H5910H214H3(H212223)
MFCD06193278
ZINC000004436361
ZINC000004436363
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