Vitas-M small molecule compound
11-[3-(benzyloxy)phenyl]-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK001354
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(c1)OCc1ccccc1
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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 C34H32N2O4 MW 532.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O4/c1-38-31-16-15-23(20-32(31)39-2)25-18-29-33(30(37)19-25)34(36-28-14-7-6-13-27(28)35-29)24-11-8-12-26(17-24)40-21-22-9-4-3-5-10-22/h3-17,20,25,34-36H,18-19,21H2,1-2H3InChIKey
NEJJMKHQQYDKKH-UHFFFAOYSA-NSynonyms
11(3(benzyloxy)phenyl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(34dimethoxyphenyl)6(3phenylmethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)OCC6=CC=CC=C6)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(c1)OCc1ccccc1
InChI=1SC34H32N2O4c13831161523(2032(31)392)25182933(30(37)1925)34(362814761327(28)3529)241181226(1724)40212294351022h31720253436H181921H212H3
MFCD02104303
STK001354
ZINC000004082226
ZINC000004082231
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