Vitas-M small molecule compound
9-(4-hydroxy-3-methoxyphenyl)-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335366
SMILES COc1cc(ccc1O)C1C2=C(CCCC2=O)Nc2n1nc(n2)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 C22H21N5O3S MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S/c1-30-18-11-13(8-9-16(18)28)20-19-15(6-4-7-17(19)29)24-21-25-22(26-27(20)21)31-12-14-5-2-3-10-23-14/h2-3,5,8-11,20,28H,4,6-7,12H2,1H3,(H,24,25,26)InChIKey
DNZTURTVMZVSSJ-UHFFFAOYSA-NSynonyms
9(4hydroxy3methoxyphenyl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4hydroxy3methoxyphenyl)2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=N5)O
InChI=1SC22H21N5O3Sc130181113(8916(18)28)201915(64717(19)29)24212522(2627(20)21)311214523102314h2358112028H46712H21H3(H242526)
MFCD09799129
ZINC000012349853
ZINC000012349859
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