Vitas-M small molecule compound

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

Catalog ID
STK316001
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)c1ccc(cc1)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 C33H36N2O3 MW 508.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O3/c1-4-5-6-11-31(37)35-29-10-8-7-9-27(29)34-28-20-25(23-14-12-22(2)13-15-23)21-30(36)32(28)33(35)24-16-18-26(38-3)19-17-24/h7-10,12-19,25,33-34H,4-6,11,20-21H2,1-3H3
InChIKey
NTILTAXXHDKBHE-UHFFFAOYSA-N
Synonyms
445025-24-1
10hexanoyl11(4methoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
445025241
5hexanoyl6(4methoxyphenyl)9(4methylphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C)NC4=CC=CC=C41)C5=CC=C(C=C5)OC
InChI=1SC33H36N2O3c14561131(37)35291087927(29)34282025(23141222(2)131523)2130(36)32(28)33(35)24161826(383)191724h7101219253334H46112021H213H3
MFCD02175272
ZINC000018172568
ZINC000018172574

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Available files

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