Vitas-M small molecule compound
10-(4-methoxybenzyl)-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL444572
SMILES COc1ccc(cc1)CN1c2ccccc2NC2=C(C1c1ccccc1)C(=O)CCC2
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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 C27H26N2O2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O2/c1-31-21-16-14-19(15-17-21)18-29-24-12-6-5-10-22(24)28-23-11-7-13-25(30)26(23)27(29)20-8-3-2-4-9-20/h2-6,8-10,12,14-17,27-28H,7,11,13,18H2,1H3InChIKey
XCWYBDAEIQBXTP-UHFFFAOYSA-NSynonyms
10((4METHOXYPHENYL)METHYL)11PHENYL234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
10(4methoxybenzyl)11phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5((4methoxyphenyl)methyl)6phenyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)CN2C(C3=C(CCCC3=O)NC4=CC=CC=C42)C5=CC=CC=C5
InChI=1SC27H26N2O2c13121161419(151721)18292412651022(24)28231171325(30)26(23)27(29)208324920h268101214172728H7111318H21H3
MFCD09430034
ZINC000009264166
ZINC000009264167
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