Vitas-M small molecule compound

2-(4-chlorophenyl)-5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinoline

Catalog ID
STK590334
SMILES Clc1ccc(cc1)c1cn2c(c1)c1cc3OCCCOc3cc1CC2

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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 C21H18ClNO2 MW 351.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO2/c22-17-4-2-14(3-5-17)16-10-19-18-12-21-20(24-8-1-9-25-21)11-15(18)6-7-23(19)13-16/h2-5,10-13H,1,6-9H2
InChIKey
ZNGXQCWIJOJNIZ-UHFFFAOYSA-N
Synonyms
883951-44-8
2(4chlorophenyl)561011tetrahydro9H(14)dioxepino(23g)pyrrolo(21a)isoquinoline
2(4chlorophenyl)691011tetrahydro5H(14)dioxepino(23g)pyrrolo(21a)isoquinoline
883951448
C1COC2=C(C=C3C(=C2)CCN4C3=CC(=C4)C5=CC=C(C=C5)Cl)OC1
InChI=1SC21H18ClNO2c22174214(3517)16101918122120(248192521)1115(18)6723(19)1316h251013H169H2
MFCD07638751
ZINC000005422136
ZINC05422136
ZINC5422136

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Available files

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