Vitas-M small molecule compound
3-(4-methoxyphenyl)-N-{(2S)-1-oxo-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-phenylpropan-2-yl}propanamide
Catalog ID
STL525839
SMILES COc1ccc(cc1)CCC(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
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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 C30H33N3O4 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O4/c1-37-25-13-10-21(11-14-25)12-15-28(34)31-26(17-22-6-3-2-4-7-22)30(36)32-18-23-16-24(20-32)27-8-5-9-29(35)33(27)19-23/h2-11,13-14,23-24,26H,12,15-20H2,1H3,(H,31,34)/t23-,24+,26-/m0/s1InChIKey
CXLHCORQKMUMNY-GSLIJJQTSA-NSynonyms
3(4methoxyphenyl)N((2S)1oxo1((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)3phenylpropan2yl)propanamide
3(4methoxyphenyl)N((S)1oxo1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)3phenylpropan2yl)propanamide
COc1ccc(cc1)CCC(=O)N(C@H)(C(=O)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
InChI=1SC30H33N3O4c13725131021(111425)121528(34)3126(17226324722)30(36)3218231624(2032)2785929(35)33(27)1923h2111314232426H121520H21H3(H3134)t2324+26m0s1
MFCD06763747
ZINC000100743816
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