Vitas-M small molecule compound

10-acetyl-3-(4-tert-butylphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK071997
SMILES O=C1CC(CC2=C1C(c1cccc(c1)[N+](=O)[O-])N(C(=O)C)c1c(N2)cccc1)c1ccc(cc1)C(C)(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 C31H31N3O4 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4/c1-19(35)33-27-11-6-5-10-25(27)32-26-17-22(20-12-14-23(15-13-20)31(2,3)4)18-28(36)29(26)30(33)21-8-7-9-24(16-21)34(37)38/h5-16,22,30,32H,17-18H2,1-4H3
InChIKey
ZDTSWUAWXDCQMQ-UHFFFAOYSA-N
Synonyms
523992-44-1
10acetyl3(4(tertbutyl)phenyl)11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10acetyl3(4tertbutylphenyl)11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523992441
5acetyl9(4tertbutylphenyl)6(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC31H31N3O4c119(35)332711651025(27)32261722(20121423(151320)31(23)4)1828(36)29(26)30(33)2187924(1621)34(37)38h516223032H1718H214H3
MFCD03488953
O=C1CC(CC2=C1C(c1cccc(c1)(N+)(=O)(O))N(C(=O)C)c1c(N2)cccc1)c1ccc(cc1)C(C)(C)C
STK071997
ZINC000009424345
ZINC000009425278

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Available files

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