Vitas-M small molecule compound

11-(3-methoxyphenyl)-3,3-dimethyl-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK139271
SMILES COc1cccc(c1)C1C2=C(Nc3c(N1C(=O)c1ccccc1)cccc3)CC(CC2=O)(C)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 C29H28N2O3 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O3/c1-29(2)17-23-26(25(32)18-29)27(20-12-9-13-21(16-20)34-3)31(24-15-8-7-14-22(24)30-23)28(33)19-10-5-4-6-11-19/h4-16,27,30H,17-18H2,1-3H3
InChIKey
YPEHFRBIXCMZQI-UHFFFAOYSA-N
Synonyms
312621-81-1
10benzoyl11(3methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(3methoxyphenyl)33dimethyl10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
312621811
5benzoyl6(3methoxyphenyl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC(=CC=C5)OC)C(=O)C1)C
InChI=1SC29H28N2O3c129(2)172326(25(32)1829)27(201291321(1620)343)31(2415871422(24)3023)28(33)19105461119h4162730H1718H213H3
MFCD01647914
ZINC000018250024
ZINC000018250026

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Available files

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