Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210426
SMILES COc1cc(cc(c1OC)OC)C1C2=C(CCCC2=O)Nc2n1nc(n2)SCc1ccccc1Cl
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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 C25H25ClN4O4S MW 513.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN4O4S/c1-32-19-11-15(12-20(33-2)23(19)34-3)22-21-17(9-6-10-18(21)31)27-24-28-25(29-30(22)24)35-13-14-7-4-5-8-16(14)26/h4-5,7-8,11-12,22H,6,9-10,13H2,1-3H3,(H,27,28,29)InChIKey
YUBQSNOXOLOXNG-UHFFFAOYSA-NSynonyms
536982-95-32((2chlorobenzyl)sulfanyl)9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2((2chlorobenzyl)thio)9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2((2chlorophenyl)methylsulfanyl)9(345trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
536982953
COC1=CC(=CC(=C1OC)OC)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5Cl
InChI=1SC25H25ClN4O4Sc132191115(1220(332)23(19)343)222117(961018(21)31)27242825(2930(22)24)351314745816(14)26h4578111222H691013H213H3(H272829)
MFCD04457045
ZINC000001283756
ZINC000001283757
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