Vitas-M small molecule compound
3-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 4-nitrobenzoate
Catalog ID
STK055989
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(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 C28H25N3O5 MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O5/c1-28(2)15-23-25(24(32)16-28)26(30-22-9-4-3-8-21(22)29-23)18-6-5-7-20(14-18)36-27(33)17-10-12-19(13-11-17)31(34)35/h3-14,26,29-30H,15-16H2,1-2H3InChIKey
UUFSCJGUXXMZCL-UHFFFAOYSA-NSynonyms
497865-38-0(3(99dimethyl7oxo681011tetrahydro5Hbenzo(b)(14)benzodiazepin6yl)phenyl)4nitrobenzoate
3(33dimethyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)phenyl4nitrobenzoate
3(33DIMETHYL1OXO234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL)PHENYL4NITROBENZOATE
497865380
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)OC(=O)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC28H25N3O5c128(2)152325(24(32)1628)26(3022943821(22)2923)1865720(1418)3627(33)17101219(131117)31(34)35h314262930H1516H212H3
MFCD03300918
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(C)C
STK055989
ZINC000018115154
ZINC000018115156
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