Vitas-M small molecule compound

2-methoxy-4-[3-(4-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate

Catalog ID
STK035689
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)OC)OC(=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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-17(32)36-26-13-10-19(16-27(26)35-3)29-28-24(30-22-6-4-5-7-23(22)31-29)14-20(15-25(28)33)18-8-11-21(34-2)12-9-18/h4-13,16,20,29-31H,14-15H2,1-3H3
InChIKey
YSUWCPMPMHZNAB-UHFFFAOYSA-N
Synonyms
312622-43-8
(2methoxy4(9(4methoxyphenyl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepin6yl)phenyl)acetate
2methoxy4(3(4methoxyphenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)phenylacetate
312622438
CC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)OC
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)OC)OC(=O)C
InChI=1SC29H28N2O5c117(32)3626131019(1627(26)353)292824(3022645723(22)3129)1420(1525(28)33)1881121(342)12918h41316202931H1415H213H3
MFCD01825181
STK035689
ZINC000000681844
ZINC000000681847

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Available files

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