Vitas-M small molecule compound
7,8-dimethyl-11-(4-methyl-3-nitrophenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK407840
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1ccc(c(c1)[N+](=O)[O-])C)c1cccs1
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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 C26H25N3O3S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S/c1-14-6-7-17(12-22(14)29(31)32)26-25-21(11-18(13-23(25)30)24-5-4-8-33-24)27-19-9-15(2)16(3)10-20(19)28-26/h4-10,12,18,26-28H,11,13H2,1-3H3InChIKey
WWIOONVUFDZZJB-UHFFFAOYSA-NSynonyms
23dimethyl6(4methyl3nitrophenyl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
78dimethyl11(4methyl3nitrophenyl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C(N2)C=C(C(=C5)C)C)(N+)(=O)(O)
InChI=1SC26H25N3O3Sc1146717(1222(14)29(31)32)262521(1118(1323(25)30)245483324)2719915(2)16(3)1020(19)2826h41012182628H1113H213H3
MFCD07358974
O=C1CC(CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1ccc(c(c1)(N+)(=O)(O))C)c1cccs1
ZINC000016447609
ZINC000016447614
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