Vitas-M small molecule compound

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

Catalog ID
STL023672
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1cccc(c1)[N+](=O)[O-])N(C(=O)c1ccccc1)c1c(N2)cccc1

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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 C32H27N3O5 MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O5/c1-32(2)18-24-29(26(36)19-32)30(28-16-15-27(40-28)21-11-8-12-22(17-21)35(38)39)34(25-14-7-6-13-23(25)33-24)31(37)20-9-4-3-5-10-20/h3-17,30,33H,18-19H2,1-2H3
InChIKey
QTLVZYOFSGOZDZ-UHFFFAOYSA-N
Synonyms
312621-84-4
10benzoyl33dimethyl11(5(3nitrophenyl)furan2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
312621844
33dimethyl11(5(3nitrophenyl)furan2yl)10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5benzoyl99dimethyl6(5(3nitrophenyl)furan2yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC=C(O5)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C1)C
InChI=1SC32H27N3O5c132(2)182429(26(36)1932)30(28161527(4028)211181222(1721)35(38)39)34(2514761323(25)3324)31(37)2094351020h3173033H1819H212H3
MFCD01471562
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1cccc(c1)(N+)(=O)(O))N(C(=O)c1ccccc1)c1c(N2)cccc1
ZINC000053319151
ZINC000053319152

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Available files

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