Vitas-M small molecule compound
(1S,5R)-3-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL564517
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/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 C21H20N2O4 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4/c24-20(7-5-14-4-6-18-19(9-14)27-13-26-18)22-10-15-8-16(12-22)17-2-1-3-21(25)23(17)11-15/h1-7,9,15-16H,8,10-13H2/b7-5+/t15-,16-/m1/s1InChIKey
YVDSSLWUAOYAIG-HIFBNBFRSA-NSynonyms
(1R5S)3((E)3(benzo(d)(13)dioxol5yl)acryloyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1R9R)11((E)3(13benzodioxol5yl)prop2enoyl)711diazatricyclo(731027)trideca24dien6one
(1S5R)3((2E)3(13benzodioxol5yl)prop2enoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
7002711
InChI=1SC21H20N2O4c2420(7514461819(914)27132618)221015816(1222)1721321(25)23(17)1115h1791516H81013H2b75+t1516m1s1
MFCD32651491
O=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C=Cc1ccc2c(c1)OCO2
ZINC000002125086
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