Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(3-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210415
SMILES COc1cccc(c1)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 C23H22N4O2S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S/c1-29-17-10-5-9-16(13-17)21-20-18(11-6-12-19(20)28)24-22-25-23(26-27(21)22)30-14-15-7-3-2-4-8-15/h2-5,7-10,13,21H,6,11-12,14H2,1H3,(H,24,25,26)InChIKey
VJNJIAMGYAEXPO-UHFFFAOYSA-NSynonyms
536980-96-82(benzylsulfanyl)9(3methoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(3methoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(3methoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
536980968
COC1=CC=CC(=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=C5
InChI=1SC23H22N4O2Sc12917105916(1317)212018(1161219(20)28)24222523(2627(21)22)3014157324815h257101321H6111214H21H3(H242526)
MFCD04457010
ZINC000004575902
ZINC000004575905
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