Vitas-M small molecule compound
10-butanoyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK052439
SMILES CCCC(=O)N1C(c2ccc(cc2)[N+](=O)[O-])C2=C(Nc3c1cccc3)CCCC2=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 C23H23N3O4 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4/c1-2-6-21(28)25-19-9-4-3-7-17(19)24-18-8-5-10-20(27)22(18)23(25)15-11-13-16(14-12-15)26(29)30/h3-4,7,9,11-14,23-24H,2,5-6,8,10H2,1H3InChIKey
MBCREPRKWJLWQD-UHFFFAOYSA-NSynonyms
10butanoyl11(4nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5butanoyl6(4nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=C(C=C4)(N+)(=O)(O)
CCCC(=O)N1C(c2ccc(cc2)(N+)(=O)(O))C2=C(Nc3c1cccc3)CCCC2=O
InChI=1SC23H23N3O4c12621(28)2519943717(19)2418851020(27)22(18)23(25)15111316(141215)26(29)30h347911142324H256810H21H3
MFCD02917585
STK052439
ZINC000005105899
ZINC000005105907
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