Vitas-M small molecule compound

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

Catalog ID
STK262383
SMILES O=C(CN1c2ccccc2NC2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)Oc1ccccc1

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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)17-23-27(25(32)18-29)28(20-11-5-3-6-12-20)31(24-16-10-9-15-22(24)30-23)19-26(33)34-21-13-7-4-8-14-21/h3-16,28,30H,17-19H2,1-2H3
InChIKey
XEDURYKMDXKHRE-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(C(N(C3=CC=CC=C3N2)CC(=O)OC4=CC=CC=C4)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC29H28N2O3c129(2)172327(25(32)1829)28(20115361220)31(24161091522(24)3023)1926(33)3421137481421h3162830H1719H212H3
MFCD08547687
phenyl(33dimethyl1oxo11phenyl1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)acetate
PHENYL2(33DIMETHYL1OXO11PHENYL234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL)ACETATE
phenyl2(99dimethyl7oxo6phenyl681011tetrahydrobenzo(b)(14)benzodiazepin5yl)acetate
ZINC000009482698
ZINC000009482699

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Available files

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