Vitas-M small molecule compound
ethyl {3-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-1H-indol-1-yl}acetate
Catalog ID
STK279165
SMILES CCOC(=O)Cn1cc(c2c1cccc2)C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C
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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 C21H23N5O4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4/c1-4-30-16(27)10-26-9-14(13-7-5-6-8-15(13)26)19(17-11(2)22-24-20(17)28)18-12(3)23-25-21(18)29/h5-9,19H,4,10H2,1-3H3,(H2,22,24,28)(H2,23,25,29)InChIKey
XAYXVGYMZDIYTO-UHFFFAOYSA-NSynonyms
CCOC(=O)CN1C=C(C2=CC=CC=C21)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C
CCOC(=O)Cn1cc(c2c1cccc2)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
ETHYL(3(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)1HINDOL1YL)ACETATE
ethyl2(3(bis(3methyl5oxo12dihydropyrazol4yl)methyl)indol1yl)acetate
InChI=1SC21H23N5O4c143016(27)1026914(13756815(13)26)19(1711(2)222420(17)28)1812(3)232521(18)29h5919H410H213H3(H2222428)(H2232529)
MFCD07178620
ZINC000009096122
ZINC09096122
ZINC9096122
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