Vitas-M small molecule compound

11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STL171791
SMILES COc1cc(cc(c1O)[N+](=O)[O-])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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-22(2)10-15-19(17(26)11-22)20(24-14-7-5-4-6-13(14)23-15)12-8-16(25(28)29)21(27)18(9-12)30-3/h4-9,20,23-24,27H,10-11H2,1-3H3
InChIKey
UHCONLRSHXQHRS-UHFFFAOYSA-N
Synonyms
423153-72-4
11(4hydroxy3methoxy5nitrophenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
423153724
6(4hydroxy3methoxy5nitrophenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)C1)C
COc1cc(cc(c1O)(N+)(=O)(O))C1Nc2ccccc2NC2=C1C(=O)CC(C2)(C)C
InChI=1SC22H23N3O5c122(2)101519(17(26)1122)20(2414754613(14)2315)12816(25(28)29)21(27)18(912)303h4920232427H1011H213H3
MFCD01829331
ZINC000001305095
ZINC000001305096

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Available files

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