Vitas-M small molecule compound
11-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK784653
SMILES COc1cc(ccc1OCc1ccc(cc1)F)C1Nc2ccccc2NC2=C1C(=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 C29H29FN2O3 MW 472.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29FN2O3/c1-29(2)15-23-27(24(33)16-29)28(32-22-7-5-4-6-21(22)31-23)19-10-13-25(26(14-19)34-3)35-17-18-8-11-20(30)12-9-18/h4-14,28,31-32H,15-17H2,1-3H3InChIKey
CWXNWUHWGNYFEX-UHFFFAOYSA-NSynonyms
11(4((4fluorobenzyl)oxy)3methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4((4fluorophenyl)methoxy)3methoxyphenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)F)OC)C(=O)C1)C
InChI=1SC29H29FN2O3c129(2)152327(24(33)1629)28(3222754621(22)3123)19101325(26(1419)343)35171881120(30)12918h414283132H1517H213H3
MFCD07022793
ZINC000012402401
ZINC000012402402
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