Vitas-M small molecule compound

7-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid

Catalog ID
STK407949
SMILES COc1cc(cc(c1O)Br)C1C=C(Nc2n1nnn2)C(=O)O

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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 C12H10BrN5O4 MW 368.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10BrN5O4/c1-22-9-3-5(2-6(13)10(9)19)8-4-7(11(20)21)14-12-15-16-17-18(8)12/h2-4,8,19H,1H3,(H,20,21)(H,14,15,17)
InChIKey
JYINNPFIOWEFRR-UHFFFAOYSA-N
Synonyms

7(3bromo4hydroxy5methoxyphenyl)17dihydrotetrazolo(15a)pyrimidine5carboxylicacid
7(3bromo4hydroxy5methoxyphenyl)47dihydrotetrazolo(15a)pyrimidine5carboxylicacid
COC1=C(C(=CC(=C1)C2C=C(N=C3N2NN=N3)C(=O)O)Br)O
InChI=1SC12H10BrN5O4c122935(26(13)10(9)19)847(11(20)21)141215161718(8)12h24819H1H3(H2021)(H141517)
MFCD11696201
ZINC000101675382
ZINC000101675387

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Available files

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