Vitas-M small molecule compound
11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403315
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)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 C28H27N3O5 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5/c1-3-36-25-15-19(13-23(28(25)33)31(34)35)27-26-22(29-20-6-4-5-7-21(20)30-27)12-18(14-24(26)32)17-10-8-16(2)9-11-17/h4-11,13,15,18,27,29-30,33H,3,12,14H2,1-2H3InChIKey
LMDSCQMKUQOMGG-UHFFFAOYSA-NSynonyms
11(3ethoxy4hydroxy5nitrophenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3ethoxy4hydroxy5nitrophenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=C(C=C4)C)NC5=CC=CC=C5N2
CCOc1cc(cc(c1O)(N+)(=O)(O))C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
InChI=1SC28H27N3O5c1336251519(1323(28(25)33)31(34)35)272622(2920645721(20)3027)1218(1424(26)32)1710816(2)91117h41113151827293033H31214H212H3
MFCD03489124
ZINC000012411364
ZINC000012411369
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