Vitas-M small molecule compound
11-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK792878
SMILES COc1cc(ccc1OCc1ccc(cc1)[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 C31H33N3O5 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O5/c1-18-12-23-24(13-19(18)2)33-30(29-25(32-23)15-31(3,4)16-26(29)35)21-8-11-27(28(14-21)38-5)39-17-20-6-9-22(10-7-20)34(36)37/h6-14,30,32-33H,15-17H2,1-5H3InChIKey
QMPCEUPZSSCABV-UHFFFAOYSA-NSynonyms
836638-99-411(3methoxy4((4nitrobenzyl)oxy)phenyl)3378tetramethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3methoxy4((4nitrophenyl)methoxy)phenyl)2399tetramethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
836638994
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)(N+)(=O)(O))OC)C(=O)CC(C3)(C)C
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C
InChI=1SC31H33N3O5c118122324(1319(18)2)3330(2925(3223)1531(34)1626(29)35)2181127(28(1421)385)3917206922(10720)34(36)37h614303233H1517H215H3
MFCD03690213
ZINC000009111071
ZINC000009111072
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