Vitas-M small molecule compound

9-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK202883
SMILES COc1cc(cc(c1O)Br)C1C2=C(Nc3n1ncn3)CC(CC2=O)(C)C

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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 C18H19BrN4O3 MW 419.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN4O3/c1-18(2)6-11-14(12(24)7-18)15(23-17(22-11)20-8-21-23)9-4-10(19)16(25)13(5-9)26-3/h4-5,8,15,25H,6-7H2,1-3H3,(H,20,21,22)
InChIKey
UPTQPZOMWNXZDI-UHFFFAOYSA-N
Synonyms
669724-80-5
669724805
9(3bromo4hydroxy5methoxyphenyl)66dimethyl1579tetrahydro(124)triazolo(51b)quinazolin8one
9(3bromo4hydroxy5methoxyphenyl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
CC1(CC2=C(C(N3C(=N2)N=CN3)C4=CC(=C(C(=C4)Br)O)OC)C(=O)C1)C
InChI=1SC18H19BrN4O3c118(2)61114(12(24)718)15(2317(2211)2082123)9410(19)16(25)13(59)263h4581525H67H213H3(H202122)
MFCD04171336
ZINC000009971067
ZINC000017016056

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Available files

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