Vitas-M small molecule compound
10-acetyl-11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK054160
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(cc1Cl)[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 C27H24ClN3O5 MW 505.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN3O5/c1-15(32)30-21-7-5-4-6-19(21)29-20-13-27(2,3)14-22(33)25(20)26(30)24-11-10-23(36-24)17-9-8-16(31(34)35)12-18(17)28/h4-12,26,29H,13-14H2,1-3H3InChIKey
HGGLKSMWCUHTPK-UHFFFAOYSA-NSynonyms
337503-18-110acetyl11(5(2chloro4nitrophenyl)furan2yl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
337503181
5acetyl6(5(2chloro4nitrophenyl)furan2yl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))Cl
InChI=1SC27H24ClN3O5c115(32)3021754619(21)29201327(23)1422(33)25(20)26(30)24111023(3624)179816(31(34)35)1218(17)28h4122629H1314H213H3
MFCD01921783
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O))N(C(=O)C)c1c(N2)cccc1
STK054160
ZINC000000857627
ZINC000000857628
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