Vitas-M small molecule compound
methyl 3-methyl-11-(4-nitrophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK088014
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc(cc1)[N+](=O)[O-]
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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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c1-12-11-17-19(21(26)18(12)22(27)30-2)20(13-7-9-14(10-8-13)25(28)29)24-16-6-4-3-5-15(16)23-17/h3-10,12,18,20,23-24H,11H2,1-2H3InChIKey
STQPJPZIRQQOBU-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H21N3O5c112111719(21(26)18(12)22(27)302)20(137914(10813)25(28)29)2416643515(16)2317h3101218202324H11H212H3
methyl3methyl11(4nitrophenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
METHYL3METHYL11(4NITROPHENYL)1OXO234TRIHYDRO5H10H11HBENZO(B)BENZO(34F)14DIAZEPINE2CARBOXYLATE
methyl9methyl6(4nitrophenyl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03489293
STK088014
ZINC000001439881
ZINC000012385048
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