Vitas-M small molecule compound

5-(4-bromophenyl)-7-(2-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

Catalog ID
STL221660
SMILES COc1ccccc1C1CC(Nc2n1nc(n2)N)c1ccc(cc1)Br

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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 C18H18BrN5O MW 400.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN5O/c1-25-16-5-3-2-4-13(16)15-10-14(11-6-8-12(19)9-7-11)21-18-22-17(20)23-24(15)18/h2-9,14-15H,10H2,1H3,(H3,20,21,22,23)
InChIKey
FBSXTPCAZKSAJD-UHFFFAOYSA-N
Synonyms
841210-75-1
5(4bromophenyl)7(2methoxyphenyl)1567tetrahydro(124)triazolo(15a)pyrimidin2amine
5(4bromophenyl)7(2methoxyphenyl)4567tetrahydro(124)triazolo(15a)pyrimidin2amine
841210751
COC1=CC=CC=C1C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)Br
InChI=1SC18H18BrN5Oc12516532413(16)151014(116812(19)9711)21182217(20)2324(15)18h291415H10H21H3(H320212223)
MFCD04011972
ZINC000002397216
ZINC000002397219

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.