Vitas-M small molecule compound

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

Catalog ID
STK262405
SMILES O=C(CN1c2ccccc2NC2=C(C1c1ccc(cc1)Cl)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 C29H27ClN2O3 MW 487.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O3/c1-29(2)16-23-27(25(33)17-29)28(19-12-14-20(30)15-13-19)32(24-11-7-6-10-22(24)31-23)18-26(34)35-21-8-4-3-5-9-21/h3-15,28,31H,16-18H2,1-2H3
InChIKey
YZMIRFXVUCIYIX-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(C(N(C3=CC=CC=C3N2)CC(=O)OC4=CC=CC=C4)C5=CC=C(C=C5)Cl)C(=O)C1)C
InChI=1SC29H27ClN2O3c129(2)162327(25(33)1729)28(19121420(30)151319)32(2411761022(24)3123)1826(34)35218435921h3152831H1618H212H3
MFCD08547711
phenyl(11(4chlorophenyl)33dimethyl1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)acetate
PHENYL2(11(4CHLOROPHENYL)33DIMETHYL1OXO234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL)ACETATE
phenyl2(6(4chlorophenyl)99dimethyl7oxo681011tetrahydrobenzo(b)(14)benzodiazepin5yl)acetate
ZINC000009482743
ZINC000009482744

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Available files

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