Vitas-M small molecule compound

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

Catalog ID
STK143047
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccs1)C(=O)CC(C2)c1ccccc1

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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 C29H30N2O2S MW 470.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O2S/c1-2-3-5-16-27(33)31-24-14-9-8-13-22(24)30-23-18-21(20-11-6-4-7-12-20)19-25(32)28(23)29(31)26-15-10-17-34-26/h4,6-15,17,21,29-30H,2-3,5,16,18-19H2,1H3
InChIKey
LYWQNZVLCGBJLO-UHFFFAOYSA-N
Synonyms

10hexanoyl3phenyl11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5hexanoyl9phenyl6thiophen2yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC=CS5
InChI=1SC29H30N2O2Sc12351627(33)312414981322(24)30231821(20116471220)1925(32)28(23)29(31)261510173426h461517212930H235161819H21H3
MFCD02375467
ZINC000018250739
ZINC000018250744

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Available files

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