Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK364183
SMILES COc1ccc(cc1O)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)OC
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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 C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-33-24-10-9-17(13-22(24)31)28-27-21(29-19-6-4-5-7-20(19)30-28)12-18(14-23(27)32)16-8-11-25(34-2)26(15-16)35-3/h4-11,13,15,18,28-31H,12,14H2,1-3H3InChIKey
MPTQTIYSHCTNCN-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)11(3hydroxy4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(34dimethoxyphenyl)6(3hydroxy4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2)O
InChI=1SC28H28N2O5c1332410917(1322(24)31)282721(2919645720(19)3028)1218(1423(27)32)1681125(342)26(1516)353h4111315182831H1214H213H3
MFCD02104464
ZINC000000710614
ZINC000000710617
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