Vitas-M small molecule compound
ethyl 3-[4,8-dimethyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate
Catalog ID
STK717608
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1nnn[nH]1
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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 C18H20N4O5 MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O5/c1-4-25-16(23)8-6-13-10(2)12-5-7-14(11(3)17(12)27-18(13)24)26-9-15-19-21-22-20-15/h5,7H,4,6,8-9H2,1-3H3,(H,19,20,21,22)InChIKey
VMYWBUOMXIOWSV-UHFFFAOYSA-NSynonyms
896816-93-6896816936
CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC3=NNN=N3)C)OC1=O)C
CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1nnn(nH)1
ethyl3(48dimethyl2oxo7(1Htetrazol5ylmethoxy)2Hchromen3yl)propanoate
ETHYL3(48DIMETHYL2OXO7(2HTETRAZOL5YLMETHOXY)CHROMEN3YL)PROPANOATE
ethyl3(7((1Htetrazol5yl)methoxy)48dimethyl2oxo2Hchromen3yl)propanoate
InChI=1SC18H20N4O5c142516(23)861310(2)125714(11(3)17(12)2718(13)24)269151921222015h57H4689H213H3(H19202122)
MFCD06596690
ZINC000004294995
ZINC4294995
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