Vitas-M small molecule compound

11-(4-fluorophenyl)-3-(4-methoxyphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK545344
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)F)C(=O)/C=C/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 C35H29FN2O3 MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29FN2O3/c1-41-28-18-14-24(15-19-28)26-21-30-34(32(39)22-26)35(25-12-16-27(36)17-13-25)38(31-10-6-5-9-29(31)37-30)33(40)20-11-23-7-3-2-4-8-23/h2-20,26,35,37H,21-22H2,1H3/b20-11+
InChIKey
KRCFDUGKKXMFQO-RGVLZGJSSA-N
Synonyms
489465-18-1
10cinnamoyl11(4fluorophenyl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4fluorophenyl)3(4methoxyphenyl)10((2E)3phenylprop2enoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
489465181
6(4fluorophenyl)9(4methoxyphenyl)5((E)3phenylprop2enoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C=CC5=CC=CC=C5)C6=CC=C(C=C6)F)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)F)C(=O)C=Cc1ccccc1
InChI=1SC35H29FN2O3c14128181424(151928)26213034(32(39)2226)35(25121627(36)171325)38(311065929(31)3730)33(40)2011237324823h220263537H2122H21H3b2011+
MFCD03297833
ZINC000100871495
ZINC000100871502

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Available files

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