Vitas-M small molecule compound
3-[(5-methoxy-1H-indol-2-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL476199
SMILES COc1ccc2c(c1)cc([nH]2)C(=O)N1CC2CC(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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c1-27-16-5-6-17-14(8-16)9-18(22-17)21(26)23-10-13-7-15(12-23)19-3-2-4-20(25)24(19)11-13/h2-6,8-9,13,15,22H,7,10-12H2,1H3InChIKey
YHDHWWZFEOBTJL-UHFFFAOYSA-NSynonyms
(1R5S)3(5methoxy1Hindole2carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((5methoxy1Hindol2yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC4CC(C3)C5=CC=CC(=O)N5C4
COc1ccc2c(c1)cc((nH)2)C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
COc1ccc2c(c1)cc((nH)2)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H21N3O3c12716561714(816)918(2217)21(26)231013715(1223)1932420(25)24(19)1113h2689131522H71012H21H3
MFCD31751342
ZINC000096221053
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