Vitas-M small molecule compound
(1S,5S)-3-{[(3Z)-6-chloro-3-(4-methylbenzylidene)-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
STL535328
SMILES Clc1ccc2c(c1)N(CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C(=O)/C/2=C\c1ccc(cc1)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 C28H26ClN3O2 MW 471.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN3O2/c1-18-5-7-19(8-6-18)12-24-23-10-9-22(29)13-26(23)32(28(24)34)17-30-14-20-11-21(16-30)25-3-2-4-27(33)31(25)15-20/h2-10,12-13,20-21H,11,14-17H2,1H3/b24-12-/t20-,21+/m0/s1InChIKey
VXDVWKFYBZFTBM-WTCARBNBSA-NSynonyms
(1R5S)3(((Z)6chloro3(4methylbenzylidene)2oxoindolin1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3(((3Z)6chloro3(4methylbenzylidene)2oxo23dihydro1Hindol1yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Clc1ccc2c(c1)N(CN1C(C@@H)3C(C@H)(C1)c1n(C3)c(=O)ccc1)C(=O)C2=Cc1ccc(cc1)C
InChI=1SC28H26ClN3O2c1185719(8618)12242310922(29)1326(23)32(28(24)34)173014201121(1630)2532427(33)31(25)1520h21012132021H111417H21H3b2412t2021+m0s1
MFCD09792986
ZINC000100788731
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