Vitas-M small molecule compound

10-hexanoyl-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK149830
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccnc1)C(=O)CC(C2)c1ccc(cc1)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 C31H33N3O3 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O3/c1-3-4-5-12-29(36)34-27-11-7-6-10-25(27)33-26-18-23(21-13-15-24(37-2)16-14-21)19-28(35)30(26)31(34)22-9-8-17-32-20-22/h6-11,13-17,20,23,31,33H,3-5,12,18-19H2,1-2H3
InChIKey
ABMRPJHZGKAFLR-UHFFFAOYSA-N
Synonyms

10HEXANOYL3(4METHOXYPHENYL)11(3PYRIDYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
10hexanoyl3(4methoxyphenyl)11(pyridin3yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5hexanoyl9(4methoxyphenyl)6pyridin3yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC4=CC=CC=C41)C5=CN=CC=C5
InChI=1SC31H33N3O3c13451229(36)342711761025(27)33261823(21131524(372)161421)1928(35)30(26)31(34)229817322022h611131720233133H35121819H212H3
MFCD03759977
ZINC000009720988
ZINC000009720991

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Available files

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