Vitas-M small molecule compound
11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403211
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C
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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 C24H27N3O5 MW 437.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O5/c1-12-6-15-16(7-13(12)2)26-22(21-17(25-15)10-24(3,4)11-19(21)28)14-8-18(27(30)31)23(29)20(9-14)32-5/h6-9,22,25-26,29H,10-11H2,1-5H3InChIKey
BDXYIDKTYMVVNB-UHFFFAOYSA-NSynonyms
11(4hydroxy3methoxy5nitrophenyl)3378tetramethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4hydroxy3methoxy5nitrophenyl)2399tetramethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)CC(C3)(C)C
COc1cc(cc(c1O)(N+)(=O)(O))C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C
InChI=1SC24H27N3O5c11261516(713(12)2)2622(2117(2515)1024(34)1119(21)28)14818(27(30)31)23(29)20(914)325h6922252629H1011H215H3
MFCD03307913
ZINC000019848356
ZINC000019848357
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