Vitas-M small molecule compound
ethyl 5-fluoro-3-{(E)-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]diazenyl}-1H-indole-2-carboxylate
Catalog ID
STK538041
SMILES CCOC(=O)c1[nH]c2c(c1/N=N/N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc(cc2)F
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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 C22H22FN5O3 MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O3/c1-2-31-22(30)21-20(16-9-15(23)6-7-17(16)24-21)25-26-27-10-13-8-14(12-27)18-4-3-5-19(29)28(18)11-13/h3-7,9,13-14,24H,2,8,10-12H2,1H3/b26-25+/t13-,14+/m0/s1InChIKey
CUEZIUZLTXHWTN-JBJZOSQCSA-NSynonyms
CCOC(=O)c1(nH)c2c(c1N=NN1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)cc(cc2)F
ethyl5fluoro3((E)((1R5R)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)diazenyl)1Hindole2carboxylate
ethyl5fluoro3((E)((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)diazenyl)1Hindole2carboxylate
MFCD18241695
ZINC000002312045
Check stock
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Check stock on Vitas-MAvailable files
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