Vitas-M small molecule compound

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

Catalog ID
STK977136
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccccc1OC)C(=O)CC(C2)(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 C28H34N2O3 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O3/c1-5-6-7-16-25(32)30-22-14-10-9-13-20(22)29-21-17-28(2,3)18-23(31)26(21)27(30)19-12-8-11-15-24(19)33-4/h8-15,27,29H,5-7,16-18H2,1-4H3
InChIKey
CXNLWRAUFBFSFO-UHFFFAOYSA-N
Synonyms
406914-79-2
10hexanoyl11(2methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
406914792
5hexanoyl6(2methoxyphenyl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=CC=C4OC
InChI=1SC28H34N2O3c15671625(32)3022141091320(22)29211728(23)1823(31)26(21)27(30)19128111524(19)334h8152729H571618H214H3
MFCD01921807
ZINC000008443861
ZINC000008443862

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Available files

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