Vitas-M small molecule compound
(5R)-3-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL524628
SMILES COc1ccc(cc1)C(=O)/C=C/N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
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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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-26-18-7-5-16(6-8-18)20(24)9-10-22-12-15-11-17(14-22)19-3-2-4-21(25)23(19)13-15/h2-10,15,17H,11-14H2,1H3/b10-9+/t15-,17?/m1/s1InChIKey
ARSZJSLBICRBET-RYIQHWKJSA-NSynonyms
(1R5S)3((E)3(4methoxyphenyl)3oxoprop1en1yl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(5R)3((1E)3(4methoxyphenyl)3oxoprop1en1yl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(9~(R))11((~(E))3(4methoxyphenyl)3oxoprop1enyl)711diazatricyclo(7310^(27))trideca24dien6one
16396888
COc1ccc(cc1)C(=O)C=CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H22N2O3c126187516(6818)20(24)9102212151117(1422)1932421(25)23(19)1315h2101517H1114H21H3b109+t1517?m1s1
MFCD02115229
ZINC000100744906
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