Vitas-M small molecule compound
11-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Catalog ID
STK058929
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])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 C26H27N5O4 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O4/c1-26(2)11-21-24(22(32)12-26)25(29-20-7-5-4-6-19(20)28-21)16-8-9-23(35-3)17(10-16)14-30-15-18(13-27-30)31(33)34/h4-10,13,15,25,29,32H,11-12,14H2,1-3H3InChIKey
UQINBBCJUOGENP-UHFFFAOYSA-NSynonyms
11(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)33dimethyl341011tetrahydro2Hdibenzo(be)(14)diazepin1ol
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C1Nc2ccccc2N=C2C1=C(O)CC(C2)(C)C
MFCD03194643
STK058929
ZINC000100951003
ZINC000100951005
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