Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-{(2S)-1-oxo-1-[(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}prop-2-enamide
Catalog ID
STL525284
SMILES O=C(N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1)/C=C/c1ccc2c(c1)OCO2
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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 C30H29N3O5 MW 511.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O5/c34-28(12-10-21-9-11-26-27(15-21)38-19-37-26)31-24(14-20-5-2-1-3-6-20)30(36)32-16-22-13-23(18-32)25-7-4-8-29(35)33(25)17-22/h1-12,15,22-24H,13-14,16-19H2,(H,31,34)/b12-10+/t22-,23+,24-/m0/s1InChIKey
OFRNWTDWTVXBMH-KRCKLUMWSA-NSynonyms
(2E)3(13benzodioxol5yl)N((2S)1oxo1((5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)3phenylpropan2yl)prop2enamide
(E)3(benzo(d)(13)dioxol5yl)N((S)1oxo1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)3phenylpropan2yl)acrylamide
InChI=1SC30H29N3O5c3428(1210219112627(1521)38193726)3124(14205213620)30(36)3216221323(1832)2574829(35)33(25)1722h112152224H13141619H2(H3134)b1210+t2223+24m0s1
MFCD02924743
O=C(N(C@H)(C(=O)N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1)C=Cc1ccc2c(c1)OCO2
ZINC000104642159
Check stock
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