Vitas-M small molecule compound
9-(3-phenoxyphenyl)-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335372
SMILES O=C1CCCC2=C1C(c1cccc(c1)Oc1ccccc1)n1c(N2)nc(n1)SCc1ccccn1
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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 C27H23N5O2S MW 481.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O2S/c33-23-14-7-13-22-24(23)25(18-8-6-12-21(16-18)34-20-10-2-1-3-11-20)32-26(29-22)30-27(31-32)35-17-19-9-4-5-15-28-19/h1-6,8-12,15-16,25H,7,13-14,17H2,(H,29,30,31)InChIKey
VRSHBRLVBJFVMJ-UHFFFAOYSA-NSynonyms
9(3phenoxyphenyl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(3phenoxyphenyl)2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=N4)C5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)C1
InChI=1SC27H23N5O2Sc3323147132224(23)25(18861221(1618)3420102131120)3226(2922)3027(3132)351719945152819h16812151625H7131417H2(H293031)
MFCD09963958
ZINC000018198775
ZINC000018198777
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