Vitas-M small molecule compound

methyl 4-(10-hexanoyl-1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate

Catalog ID
STK546509
SMILES CCCCCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccccc1

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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 C33H34N2O4 MW 522.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O4/c1-3-4-6-15-30(37)35-28-14-10-9-13-26(28)34-27-20-25(22-11-7-5-8-12-22)21-29(36)31(27)32(35)23-16-18-24(19-17-23)33(38)39-2/h5,7-14,16-19,25,32,34H,3-4,6,15,20-21H2,1-2H3
InChIKey
MHKQWMZHLPKYJF-UHFFFAOYSA-N
Synonyms
488087-21-4
488087214
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC=C(C=C5)C(=O)OC
InChI=1SC33H34N2O4c13461530(37)3528141091326(28)34272025(22117581222)2129(36)31(27)32(35)23161824(191723)33(38)392h57141619253234H346152021H212H3
methyl4(10hexanoyl1oxo3phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(5hexanoyl7oxo9phenyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03287701
ZINC000009018999
ZINC000009020142

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Available files

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