Vitas-M small molecule compound
11-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Catalog ID
STK078029
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)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 C28H31N5O4 MW 501.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O4/c1-16-27(33(35)36)17(2)32(31-16)15-19-12-18(10-11-24(19)37-5)26-25-22(13-28(3,4)14-23(25)34)29-20-8-6-7-9-21(20)30-26/h6-12,26,30,34H,13-15H2,1-5H3InChIKey
NUVYHXHYJBQFGQ-UHFFFAOYSA-NSynonyms
11(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)33dimethyl341011tetrahydro2Hdibenzo(be)(14)diazepin1ol
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C1Nc2ccccc2N=C2C1=C(O)CC(C2)(C)C
MFCD03194644
STK078029
ZINC000101027601
ZINC000101027604
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