Vitas-M small molecule compound
9-(biphenyl-4-yl)-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335386
SMILES O=C1CCCC2=C1C(c1ccc(cc1)c1ccccc1)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 C27H23N5OS MW 465.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5OS/c33-23-11-6-10-22-24(23)25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)32-26(29-22)30-27(31-32)34-17-21-9-4-5-16-28-21/h1-5,7-9,12-16,25H,6,10-11,17H2,(H,29,30,31)InChIKey
HTPBEQFVWHJRSQ-UHFFFAOYSA-NSynonyms
9(4phenylphenyl)2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
9(biphenyl4yl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=N4)C5=CC=C(C=C5)C6=CC=CC=C6)C(=O)C1
InChI=1SC27H23N5OSc3323116102224(23)25(20141219(131520)187213818)3226(2922)3027(3132)341721945162821h1579121625H6101117H2(H293031)
MFCD09963963
ZINC000018198815
ZINC000018198816
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