Vitas-M small molecule compound
10-hexanoyl-3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL023659
SMILES CCCCCC(=O)N1C(c2ccc(o2)c2ccccc2[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 C31H33N3O5 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O5/c1-4-5-6-15-28(36)33-24-14-10-8-12-21(24)32-22-18-31(2,3)19-25(35)29(22)30(33)27-17-16-26(39-27)20-11-7-9-13-23(20)34(37)38/h7-14,16-17,30,32H,4-6,15,18-19H2,1-3H3InChIKey
QGOQZBBCFZMCNE-UHFFFAOYSA-NSynonyms
406914-50-910hexanoyl33dimethyl11(5(2nitrophenyl)furan2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
406914509
5hexanoyl99dimethyl6(5(2nitrophenyl)furan2yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O)
CCCCCC(=O)N1C(c2ccc(o2)c2ccccc2(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
InChI=1SC31H33N3O5c14561528(36)3324141081221(24)32221831(23)1925(35)29(22)30(33)27171626(3927)2011791323(20)34(37)38h71416173032H46151819H213H3
MFCD01921814
ZINC000009380745
ZINC000017180243
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