Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-11-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK097504
SMILES COc1cc(ccc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)OC)O
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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/c1-33-24-11-9-16(14-26(24)35-3)18-12-21-27(23(32)13-18)28(17-8-10-22(31)25(15-17)34-2)30-20-7-5-4-6-19(20)29-21/h4-11,14-15,18,28-31H,12-13H2,1-3H3InChIKey
XZWLZKXIAWPSPH-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)11(4hydroxy3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(4HYDROXY3METHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
9(34dimethoxyphenyl)6(4hydroxy3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)O)OC)C(=O)C2)OC
COc1cc(ccc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)OC)O
InChI=1SC28H28N2O5c1332411916(1426(24)353)18122127(23(32)1318)28(1781022(31)25(1517)342)3020754619(20)2921h4111415182831H1213H213H3
MFCD01874743
STK097504
ZINC000018143532
ZINC000018143539
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