Vitas-M small molecule compound
2-(3-acetyl-1H-indol-1-yl)-1-(3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl)ethanone
Catalog ID
STL511723
SMILES O=C(N1CCCC2=CC3CC(C12)CN1CCCCC31)Cn1cc(c2c1cccc2)C(=O)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 C27H33N3O2 MW 431.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O2/c1-18(31)23-16-29(25-10-3-2-8-22(23)25)17-26(32)30-12-6-7-19-13-20-14-21(27(19)30)15-28-11-5-4-9-24(20)28/h2-3,8,10,13,16,20-21,24,27H,4-7,9,11-12,14-15,17H2,1H3InChIKey
JPDWODBGKJNCFG-UHFFFAOYSA-NSynonyms
135638063
2(3acetyl1Hindol1yl)1((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)ethanone
2(3acetyl1Hindol1yl)1(34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)ethanone
2(3acetylindol1yl)1(315diazatetracyclo(7710^(27)0^(1015))heptadec7en3yl)ethanone
InChI=1SC27H33N3O2c118(31)231629(251032822(23)25)1726(32)3012671913201421(27(19)30)15281154924(20)28h23810131620212427H4791112141517H21H3
MFCD31751799
O=C(N1CCCC2=C(C@H)3C(C@H)(C12)CN1CCCCC31)Cn1cc(c2c1cccc2)C(=O)C
ZINC000604404728
ZINC000604404733
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