Vitas-M small molecule compound
3-[(1Z)-1-(6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene)ethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL510905
SMILES O=C1CC2C(/C/1=C(/N1CC3CC(C1)c1n(C3)c(=O)ccc1)\C)C2(C)C
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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 C21H26N2O2 MW 338.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O2/c1-12(19-17(24)8-15-20(19)21(15,2)3)22-9-13-7-14(11-22)16-5-4-6-18(25)23(16)10-13/h4-6,13-15,20H,7-11H2,1-3H3/b19-12+InChIKey
HHVSHINZGPPWNV-XDHOZWIPSA-NSynonyms
(1R5S)3((Z)1((1S5R)66dimethyl3oxobicyclo(310)hexan2ylidene)ethyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
11((1~(Z))1(66dimethyl3oxo2bicyclo(310)hexanylidene)ethyl)711diazatricyclo(7310^(27))trideca24dien6one
3((1Z)1(66dimethyl3oxobicyclo(310)hex2ylidene)ethyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
6376045
InChI=1SC21H26N2O2c112(1917(24)81520(19)21(152)3)22913714(1122)1654618(25)23(16)1013h46131520H711H213H3b1912+
MFCD31750882
O=C1C(C@@H)2(C@H)(C1=C(N1C(C@@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)C)C2(C)C
ZINC000043736785
ZINC000888088587
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