Vitas-M small molecule compound
3-(1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 4-nitrobenzoate
Catalog ID
STL147668
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)C1Nc2ccccc2N=C2C1=C(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/h3-14,26,30,32H,15-16H2,1-2H3InChIKey
SEHVMRXGZOJGFN-UHFFFAOYSA-NSynonyms
3(1hydroxy33dimethyl341011tetrahydro2Hdibenzo(be)(14)diazepin11yl)phenyl4nitrobenzoate
MFCD03815015
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1cccc(c1)C1Nc2ccccc2N=C2C1=C(O)CC(C2)(C)C
ZINC000102453465
ZINC000102453469
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