Vitas-M small molecule compound
6-(thiophen-2-yl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK334983
SMILES COc1ccc(c(c1OC)OC)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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-28-16-7-6-13(20(29-2)21(16)30-3)19-18-14(25-22-23-11-24-26(19)22)9-12(10-15(18)27)17-5-4-8-31-17/h4-8,11-12,19H,9-10H2,1-3H3,(H,23,24,25)InChIKey
FEHMPLQNCVFKOF-UHFFFAOYSA-NSynonyms
6(thiophen2yl)9(234trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
6thiophen2yl9(234trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=C(C(=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)N=C5N2NC=N5)OC)OC
InChI=1SC22H22N4O4Sc128167613(20(292)21(16)303)191814(252223112426(19)22)912(1015(18)27)175483117h48111219H910H213H3(H232425)
MFCD09963770
ZINC000018197922
ZINC000018197927
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