Vitas-M small molecule compound
ethyl 5-fluoro-3-({2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoyl}amino)-1H-indole-2-carboxylate
Catalog ID
STL526338
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)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 C25H27FN4O4 MW 466.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN4O4/c1-3-34-25(33)23-22(18-10-17(26)7-8-19(18)27-23)28-24(32)14(2)29-11-15-9-16(13-29)20-5-4-6-21(31)30(20)12-15/h4-8,10,14-16,27H,3,9,11-13H2,1-2H3,(H,28,32)/t14?,15-,16-/m0/s1InChIKey
XUZQJTFOHGPVPY-YVZMLIKISA-NSynonyms
CCOC(=O)c1(nH)c2c(c1NC(=O)C(N1C(C@@H)3C(C@H)(C1)c1n(C3)c(=O)ccc1)C)cc(cc2)F
ethyl5fluoro3((2((1S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propanoyl)amino)1Hindole2carboxylate
ethyl5fluoro3(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propanamido)1Hindole2carboxylate
InChI=1SC25H27FN4O4c133425(33)2322(181017(26)7819(18)2723)2824(32)14(2)291115916(1329)2054621(31)30(20)1215h4810141627H391113H212H3(H2832)t14?1516m0s1
MFCD02925437
ZINC000104210897
ZINC000104210903
Check stock
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