Vitas-M small molecule compound

5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol

Catalog ID
STK682748
SMILES CCOc1cc2c(cc1OCC)CNC(c1n2ccc1)c1ccc(c(c1)O)OC

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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 C23H26N2O4 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4/c1-4-28-21-12-16-14-24-23(15-8-9-20(27-3)19(26)11-15)17-7-6-10-25(17)18(16)13-22(21)29-5-2/h6-13,23-24,26H,4-5,14H2,1-3H3
InChIKey
NJPVIOQQGAERBP-UHFFFAOYSA-N
Synonyms
5((4R)89DIETHOXY56DIHYDRO4HPYRROLO(12A)(14)BENZODIAZEPIN4YL)2METHOXYPHENOL
5((4S)89DIETHOXY56DIHYDRO4HPYRROLO(12A)(14)BENZODIAZEPIN4YL)2METHOXYPHENOL
5(89diethoxy56dihydro4Hpyrrolo(12a)(14)benzodiazepin4yl)2methoxyphenol
CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=C(C=C4)OC)O)OCC
Registry IDs
MFCD04060675
ZINC000055214731
ZINC000055214732

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Available files

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