Vitas-M small molecule compound

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

Catalog ID
STK262394
SMILES O=C(CN1c2ccccc2NC2=C(C1c1ccco1)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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-27(2)15-20-25(22(30)16-27)26(23-13-8-14-32-23)29(21-12-7-6-11-19(21)28-20)17-24(31)33-18-9-4-3-5-10-18/h3-14,26,28H,15-17H2,1-2H3
InChIKey
SJQMLGSBLWFRMB-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(C(N(C3=CC=CC=C3N2)CC(=O)OC4=CC=CC=C4)C5=CC=CO5)C(=O)C1)C
InChI=1SC27H26N2O4c127(2)152025(22(30)1627)26(23138143223)29(2112761119(21)2820)1724(31)331894351018h3142628H1517H212H3
MFCD08547700
phenyl(11(furan2yl)33dimethyl1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)acetate
PHENYL2(11(2FURYL)33DIMETHYL1OXO234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL)ACETATE
phenyl2(6(furan2yl)99dimethyl7oxo681011tetrahydrobenzo(b)(14)benzodiazepin5yl)acetate
ZINC000009482721
ZINC000009482722

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Available files

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