Vitas-M small molecule compound

2-(2,5-dichlorophenyl)-5-[(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)acetyl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK614344
SMILES Clc1ccc(c(c1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2)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 C28H20Cl2N2O5 MW 535.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20Cl2N2O5/c29-17-3-5-21(30)23(12-17)32-27(34)18-4-2-16(10-20(18)28(32)35)24(33)14-22-19-13-26-25(36-8-1-9-37-26)11-15(19)6-7-31-22/h2-5,10-14,31H,1,6-9H2/b22-14-
InChIKey
FOMPCUBLSHBMCU-HMAPJEAMSA-N
Synonyms
903189-81-1
(Z)2(25dichlorophenyl)5(2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetyl)isoindoline13dione
2(25dichlorophenyl)5((2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)acetyl)isoindole13dione
2(25dichlorophenyl)5((2Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetyl)1Hisoindole13(2H)dione
903189811
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=C(C=CC(=C6)Cl)Cl)OC1
Clc1ccc(c(c1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)C=C1NCCc2c1cc1OCCCOc1c2)Cl
InChI=1SC28H20Cl2N2O5c29173521(30)23(1217)3227(34)184216(1020(18)28(32)35)24(33)142219132625(368193726)1115(19)673122h25101431H169H2b2214
MFCD08288013
ZINC000101141359
ZINC101141359

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.