Vitas-M small molecule compound

propan-2-yl 7-(3-ethoxy-4-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Catalog ID
STK690333
SMILES CCOc1cc(ccc1O)C1C(=C(C)Nc2n1nnn2)C(=O)OC(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 C17H21N5O4 MW 359.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5O4/c1-5-25-13-8-11(6-7-12(13)23)15-14(16(24)26-9(2)3)10(4)18-17-19-20-21-22(15)17/h6-9,15,23H,5H2,1-4H3,(H,18,19,21)
InChIKey
QNTFNQZGQHHYPX-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NN=N3)C)C(=O)OC(C)C)O
InChI=1SC17H21N5O4c152513811(6712(13)23)1514(16(24)269(2)3)10(4)181719202122(15)17h691523H5H214H3(H181921)
MFCD09063515
propan2yl7(3ethoxy4hydroxyphenyl)5methyl17dihydrotetrazolo(15a)pyrimidine6carboxylate
propan2yl7(3ethoxy4hydroxyphenyl)5methyl47dihydrotetrazolo(15a)pyrimidine6carboxylate
ZINC000012411473
ZINC000012411475

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Available files

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