Vitas-M small molecule compound

methyl [4,7-dimethyl-2-oxo-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]acetate

Catalog ID
STK584825
SMILES COC(=O)Cc1c(=O)oc2c(c1C)c(OCc1nnn[nH]1)cc(c2)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 C16H16N4O5 MW 344.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O5/c1-8-4-11(24-7-13-17-19-20-18-13)15-9(2)10(6-14(21)23-3)16(22)25-12(15)5-8/h4-5H,6-7H2,1-3H3,(H,17,18,19,20)
InChIKey
PPUBQGVLSBQZDL-UHFFFAOYSA-N
Synonyms
896853-29-5
2(2KETO47DIMETHYL5(2HTETRAZOL5YLMETHOXY)CHROMEN3YL)ACETICACIDMETHYLESTER
2(47DIMETHYL2OXO5(2HTETRAZOL5YLMETHOXY)1BENZOPYRAN3YL)ACETICACIDMETHYLESTER
896853295
CC1=CC2=C(C(=C(C(=O)O2)CC(=O)OC)C)C(=C1)OCC3=NNN=N3
COC(=O)Cc1c(=O)oc2c(c1C)c(OCc1nnn(nH)1)cc(c2)C
InChI=1SC16H16N4O5c18411(247131719201813)159(2)10(614(21)233)16(22)2512(15)58h45H67H213H3(H17181920)
methyl(47dimethyl2oxo5(1Htetrazol5ylmethoxy)2Hchromen3yl)acetate
METHYL2(47DIMETHYL2OXO5(2HTETRAZOL5YLMETHOXY)CHROMEN3YL)ACETATE
methyl2(5((1Htetrazol5yl)methoxy)47dimethyl2oxo2Hchromen3yl)acetate
MFCD06603491
ZINC000004294684
ZINC4294684

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Available files

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