Vitas-M small molecule compound

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

Catalog ID
STK868342
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])N(C(=O)C)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 C28H27N3O5 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5/c1-16-13-18(31(34)35)9-10-19(16)24-11-12-25(36-24)27-26-21(14-28(3,4)15-23(26)33)29-20-7-5-6-8-22(20)30(27)17(2)32/h5-13,27,29H,14-15H2,1-4H3
InChIKey
YQLJEIWWIBVFLM-UHFFFAOYSA-N
Synonyms
337503-28-3
10acetyl33dimethyl11(5(2methyl4nitrophenyl)furan2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
337503283
5acetyl99dimethyl6(5(2methyl4nitrophenyl)furan2yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C3C4=C(CC(CC4=O)(C)C)NC5=CC=CC=C5N3C(=O)C
InChI=1SC28H27N3O5c1161318(31(34)35)91019(16)24111225(3624)272621(1428(34)1523(26)33)2920756822(20)30(27)17(2)32h5132729H1415H214H3
MFCD01921457
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(cc1C)(N+)(=O)(O))N(C(=O)C)c1c(N2)cccc1
ZINC000000671437
ZINC000000671440

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Available files

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