Vitas-M small molecule compound
3-[4-methyl-2-(1H-pyrrol-1-yl)pentanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL476871
SMILES CC(CC(C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1)n1cccc1)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 C21H27N3O2 MW 353.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O2/c1-15(2)10-19(22-8-3-4-9-22)21(26)23-12-16-11-17(14-23)18-6-5-7-20(25)24(18)13-16/h3-9,15-17,19H,10-14H2,1-2H3InChIKey
UXNKIADCKLQAAW-UHFFFAOYSA-NSynonyms
(1R5S)3((R)4methyl2(1Hpyrrol1yl)pentanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3(4methyl2(1Hpyrrol1yl)pentanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC(C(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)n1cccc1)C
CC(C)CC(C(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2)N4C=CC=C4
InChI=1SC21H27N3O2c115(2)1019(22834922)21(26)2312161117(1423)1865720(25)24(18)1316h39151719H1014H212H3
MFCD31751387
ZINC000263586485
ZINC000334161141
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