Vitas-M small molecule compound

2-(benzylsulfanyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK232083
SMILES COc1c(OC)cccc1C1C2=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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-30-19-13-6-10-16(22(19)31-2)21-20-17(11-7-12-18(20)29)25-23-26-24(27-28(21)23)32-14-15-8-4-3-5-9-15/h3-6,8-10,13,21H,7,11-12,14H2,1-2H3,(H,25,26,27)
InChIKey
TZNGWQAZKJEKHK-UHFFFAOYSA-N
Synonyms
727402-37-1
2(benzylsulfanyl)9(23dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(23dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(23dimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
727402371
COC1=CC=CC(=C1OC)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5
InChI=1SC24H24N4O3Sc130191361016(22(19)312)212017(1171218(20)29)25232624(2728(21)23)3214158435915h368101321H7111214H212H3(H252627)
MFCD06193100
ZINC000009427118
ZINC000013483937

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Available files

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