Vitas-M small molecule compound

butyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Catalog ID
STK914960
SMILES CCCCOC(=O)C1=C(C)Nc2n(C1c1c(F)cccc1Cl)nnn2

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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 C16H17ClFN5O2 MW 365.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClFN5O2/c1-3-4-8-25-15(24)12-9(2)19-16-20-21-22-23(16)14(12)13-10(17)6-5-7-11(13)18/h5-7,14H,3-4,8H2,1-2H3,(H,19,20,22)
InChIKey
MBSDYPXXOMSVMJ-UHFFFAOYSA-N
Synonyms

butyl7(2chloro6fluorophenyl)5methyl17dihydrotetrazolo(15a)pyrimidine6carboxylate
butyl7(2chloro6fluorophenyl)5methyl47dihydrotetrazolo(15a)pyrimidine6carboxylate
CCCCOC(=O)C1=C(N=C2N=NNN2C1C3=C(C=CC=C3Cl)F)C
InChI=1SC16H17ClFN5O2c13482515(24)129(2)191620212223(16)14(12)1310(17)65711(13)18h5714H348H212H3(H192022)
MFCD14730334
ZINC000004598028
ZINC000004598029

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Available files

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