Vitas-M small molecule compound
3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL170563
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1[N+](=O)[O-])N(C(=O)c1ccccc1)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 C32H27N3O5 MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O5/c1-32(2)18-23-29(26(36)19-32)30(28-17-16-27(40-28)21-12-6-8-14-24(21)35(38)39)34(25-15-9-7-13-22(25)33-23)31(37)20-10-4-3-5-11-20/h3-17,30,33H,18-19H2,1-2H3InChIKey
BHWOUSAPMNWZHY-UHFFFAOYSA-NSynonyms
354537-17-033dimethyl11(5(2nitrophenyl)furan2yl)10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
354537170
5benzoyl99dimethyl6(5(2nitrophenyl)furan2yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC=C(O5)C6=CC=CC=C6(N+)(=O)(O))C(=O)C1)C
InChI=1SC32H27N3O5c132(2)182329(26(36)1932)30(28171627(4028)2112681424(21)35(38)39)34(2515971322(25)3323)31(37)20104351120h3173033H1819H212H3
MFCD01921899
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1(N+)(=O)(O))N(C(=O)c1ccccc1)c1c(N2)cccc1
ZINC000008444367
ZINC000008444368
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