Vitas-M small molecule compound

10-[(4-chlorophenyl)acetyl]-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STL444587
SMILES Clc1ccc(cc1)CC(=O)N1C(c2ccc(o2)c2cccc(c2)[N+](=O)[O-])C2=C(Nc3c1cccc3)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 C33H28ClN3O5 MW 582.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28ClN3O5/c1-33(2)18-25-31(27(38)19-33)32(29-15-14-28(42-29)21-6-5-7-23(17-21)37(40)41)36(26-9-4-3-8-24(26)35-25)30(39)16-20-10-12-22(34)13-11-20/h3-15,17,32,35H,16,18-19H2,1-2H3
InChIKey
BXEBATSEMIPGPB-UHFFFAOYSA-N
Synonyms

10((4chlorophenyl)acetyl)33dimethyl11(5(3nitrophenyl)furan2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5(2(4chlorophenyl)acetyl)99dimethyl6(5(3nitrophenyl)furan2yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=C(C=C4)Cl)C5=CC=C(O5)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C1)C
Clc1ccc(cc1)CC(=O)N1C(c2ccc(o2)c2cccc(c2)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
InChI=1SC33H28ClN3O5c133(2)182531(27(38)1933)32(29151428(4229)2165723(1721)37(40)41)36(26943824(26)3525)30(39)1620101222(34)131120h315173235H161819H212H3
MFCD02238913
ZINC000008694797
ZINC000008694798

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Available files

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