Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK217464
SMILES COc1c(OC)c(OC)ccc1C1C2=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/c1-31-19-13-12-16(22(32-2)23(19)33-3)21-20-17(10-7-11-18(20)30)26-24-27-25(28-29(21)24)34-14-15-8-5-4-6-9-15/h4-6,8-9,12-13,21H,7,10-11,14H2,1-3H3,(H,26,27,28)InChIKey
GCRZWQTYGLCCIO-UHFFFAOYSA-NSynonyms
727402-36-02(benzylsulfanyl)9(234trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(234trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(234trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
727402360
COC1=C(C(=C(C=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5)OC)OC
InChI=1SC25H26N4O4Sc13119131216(22(322)23(19)333)212017(1071118(20)30)26242725(2829(21)24)3414158546915h4689121321H7101114H213H3(H262728)
MFCD06193099
ZINC000009243038
ZINC000010059659
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