Vitas-M small molecule compound

2-ethoxy-4-[3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl cyclohexanecarboxylate

Catalog ID
STK403532
SMILES CCOc1cc(ccc1OC(=O)C1CCCCC1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)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 C35H38N2O4 MW 550.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N2O4/c1-3-40-32-21-25(17-18-31(32)41-35(39)24-9-5-4-6-10-24)34-33-29(36-27-11-7-8-12-28(27)37-34)19-26(20-30(33)38)23-15-13-22(2)14-16-23/h7-8,11-18,21,24,26,34,36-37H,3-6,9-10,19-20H2,1-2H3
InChIKey
GFDYQILSERCGFQ-UHFFFAOYSA-N
Synonyms

(2ethoxy4(9(4methylphenyl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepin6yl)phenyl)cyclohexanecarboxylate
2ethoxy4(3(4methylphenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)phenylcyclohexanecarboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)C)NC5=CC=CC=C5N2)OC(=O)C6CCCCC6
InChI=1SC35H38N2O4c1340322125(171831(32)4135(39)2495461024)343329(362711781228(27)3734)1926(2030(33)38)23151322(2)141623h781118212426343637H369101920H212H3
MFCD03489400
ZINC000053360255
ZINC000053360261

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Available files

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