Vitas-M small molecule compound
(1S,5S)-3-{[(3Z)-6-chloro-3-(4-chlorobenzylidene)-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
STL010528
SMILES Clc1ccc2c(c1)N(CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C(=O)/C/2=C\c1ccc(cc1)Cl
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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 C27H23Cl2N3O2 MW 492.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23Cl2N3O2/c28-20-6-4-17(5-7-20)11-23-22-9-8-21(29)12-25(22)32(27(23)34)16-30-13-18-10-19(15-30)24-2-1-3-26(33)31(24)14-18/h1-9,11-12,18-19H,10,13-16H2/b23-11-/t18-,19+/m0/s1InChIKey
XOQKQEQYTXWIBQ-ARMWLGIGSA-NSynonyms
(1R5S)3(((Z)6chloro3(4chlorobenzylidene)2oxoindolin1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3(((3Z)6chloro3(4chlorobenzylidene)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)Cl
Clc1ccc2c(c1)N(CN1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)C(=O)C2=Cc1ccc(cc1)Cl
MFCD09842974
ZINC000100788814
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