Vitas-M small molecule compound
10-acetyl-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
STK032998
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1[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 C27H25N3O5 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5/c1-16(31)29-21-11-7-5-9-18(21)28-19-14-27(2,3)15-22(32)25(19)26(29)24-13-12-23(35-24)17-8-4-6-10-20(17)30(33)34/h4-13,26,28H,14-15H2,1-3H3InChIKey
FOYAGCWCFXBYNI-UHFFFAOYSA-NSynonyms
353787-22-110acetyl33dimethyl11(5(2nitrophenyl)furan2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
353787221
5acetyl99dimethyl6(5(2nitrophenyl)furan2yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O)
InChI=1SC27H25N3O5c116(31)29211175918(21)28191427(23)1522(32)25(19)26(29)24131223(3524)178461020(17)30(33)34h4132628H1415H213H3
MFCD01835146
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1(N+)(=O)(O))N(C(=O)C)c1c(N2)cccc1
STK032998
ZINC000000669562
ZINC000000669566
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