Vitas-M small molecule compound

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

Catalog ID
STL169479
SMILES CCCCOc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)CC)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 C28H34N2O3 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O3/c1-5-7-16-33-20-14-12-19(13-15-20)27-26-22(17-28(3,4)18-24(26)31)29-21-10-8-9-11-23(21)30(27)25(32)6-2/h8-15,27,29H,5-7,16-18H2,1-4H3
InChIKey
AJHDJVAAGJGEJD-UHFFFAOYSA-N
Synonyms
351165-77-0
11(4butoxyphenyl)33dimethyl10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
351165770
6(4butoxyphenyl)99dimethyl5propanoyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)CC
InChI=1SC28H34N2O3c157163320141219(131520)272622(1728(34)1824(26)31)292110891123(21)30(27)25(32)62h8152729H571618H214H3
MFCD01648064
ZINC000008432105
ZINC000008432106

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Available files

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