Vitas-M small molecule compound
(1S,5R)-3-({(3Z)-6-chloro-3-[(1-methyl-1H-indol-3-yl)methylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}methyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL535145
SMILES Clc1ccc2c(c1)N(CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C(=O)/C/2=C\c1cn(c2c1cccc2)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 C30H27ClN4O2 MW 511.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4O2/c1-32-16-20(23-5-2-3-6-27(23)32)12-25-24-10-9-22(31)13-28(24)35(30(25)37)18-33-14-19-11-21(17-33)26-7-4-8-29(36)34(26)15-19/h2-10,12-13,16,19,21H,11,14-15,17-18H2,1H3/b25-12-/t19-,21+/m0/s1InChIKey
NPMRRGOIGHIZJN-UAIPYOAWSA-NSynonyms
(1R5S)3(((Z)6chloro3((1methyl1Hindol3yl)methylene)2oxoindolin1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((3Z)6chloro3((1methyl1Hindol3yl)methylidene)2oxo23dihydro1Hindol1yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Clc1ccc2c(c1)N(CN1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)C(=O)C2=Cc1cn(c2c1cccc2)C
InChI=1SC30H27ClN4O2c1321620(23523627(23)32)12252410922(31)1328(24)35(30(25)37)183314191121(1733)2674829(36)34(26)1519h2101213161921H1114151718H21H3b2512t1921+m0s1
MFCD09794953
ZINC000008765149
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