Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210421
SMILES COc1cc(cc(c1OC)OC)C1C2=C(CCCC2=O)Nc2n1nc(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 C25H26N4O4S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4S/c1-31-19-12-16(13-20(32-2)23(19)33-3)22-21-17(10-7-11-18(21)30)26-24-27-25(28-29(22)24)34-14-15-8-5-4-6-9-15/h4-6,8-9,12-13,22H,7,10-11,14H2,1-3H3,(H,26,27,28)InChIKey
VJMCUFWEJWKAIX-UHFFFAOYSA-NSynonyms
536981-11-02(benzylsulfanyl)9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(345trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
536981110
COC1=CC(=CC(=C1OC)OC)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5
InChI=1SC25H26N4O4Sc131191216(1320(322)23(19)333)222117(1071118(21)30)26242725(2829(22)24)3414158546915h4689121322H7101114H213H3(H262728)
MFCD04457016
ZINC000009237685
ZINC000009237688
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