Vitas-M small molecule compound

methyl 6-acetyl-7-[4-(methoxycarbonyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate

Catalog ID
STK728597
SMILES COC(=O)c1ccc(cc1)C1C(=C(Nc2n1nnn2)C(=O)OC)C(=O)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 C16H15N5O5 MW 357.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O5/c1-8(22)11-12(15(24)26-3)17-16-18-19-20-21(16)13(11)9-4-6-10(7-5-9)14(23)25-2/h4-7,13H,1-3H3,(H,17,18,20)
InChIKey
RZENNCIJOYPOFO-UHFFFAOYSA-N
Synonyms

CC(=O)C1=C(N=C2N=NNN2C1C3=CC=C(C=C3)C(=O)OC)C(=O)OC
InChI=1SC16H15N5O5c18(22)1112(15(24)263)171618192021(16)13(11)94610(759)14(23)252h4713H13H3(H171820)
methyl6acetyl7(4(methoxycarbonyl)phenyl)47dihydrotetrazolo(15a)pyrimidine5carboxylate
METHYL6ACETYL7(4METHOXYCARBONYLPHENYL)17DIHYDROTETRAZOLO(15A)PYRIMIDINE5CARBOXYLATE
MFCD03779563
ZINC000013132451
ZINC000013132452

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Available files

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