Vitas-M small molecule compound
9-(2,3-dimethoxyphenyl)-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK334823
SMILES COc1cccc(c1OC)C1C2=C(CC(CC2=O)c2cccs2)Nc2n1ncn2
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-27-16-6-3-5-13(20(16)28-2)19-18-14(24-21-22-11-23-25(19)21)9-12(10-15(18)26)17-7-4-8-29-17/h3-8,11-12,19H,9-10H2,1-2H3,(H,22,23,24)InChIKey
RCLXBMLTNAGKJS-UHFFFAOYSA-NSynonyms
9(23dimethoxyphenyl)6(thiophen2yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(23dimethoxyphenyl)6thiophen2yl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=CC=CC(=C1OC)C2C3=C(CC(CC3=O)C4=CC=CS4)N=C5N2NC=N5
InChI=1SC21H20N4O3Sc1271663513(20(16)282)191814(242122112325(19)21)912(1015(18)26)177482917h38111219H910H212H3(H222324)
MFCD09963672
ZINC000018197643
ZINC000018197649
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