Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-{1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)amino]ethylidene}dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548945
SMILES O=C1Nc2ccccc2CCC1N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)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 C28H26N2O7 MW 502.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O7/c1-12-23(33)21(14(3)31)25-22(24(12)34)28(4)19(37-25)11-18(32)20(26(28)35)13(2)29-17-10-9-15-7-5-6-8-16(15)30-27(17)36/h5-8,11,17,29,33-34H,9-10H2,1-4H3,(H,30,36)/b20-13+/t17?,28-/m0/s1InChIKey
ZUEHTDOIHXTCDJ-FFXXAYNSSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((2oxo1345tetrahydro1benzazepin3yl)amino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((2oxo2345tetrahydro1H1benzazepin3yl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy89bdimethyl2(1((2oxo2345tetrahydro1Hbenzo(b)azepin3yl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
121541157
InChI=1SC28H26N2O7c11223(33)21(14(3)31)2522(24(12)34)28(4)19(3725)1118(32)20(26(28)35)13(2)291710915756816(15)3027(17)36h581117293334H910H214H3(H3036)b2013+t17?28m0s1
O=C1Nc2ccccc2CCC1NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000263586928
ZINC000263586929
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.