Vitas-M small molecule compound

11-(3-fluorophenyl)-10-propanoyl-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK134605
SMILES CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)F)C(=O)CC(C2)c1cc(OC)c(c(c1)OC)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 C31H31FN2O5 MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FN2O5/c1-5-28(36)34-24-12-7-6-11-22(24)33-23-14-19(20-16-26(37-2)31(39-4)27(17-20)38-3)15-25(35)29(23)30(34)18-9-8-10-21(32)13-18/h6-13,16-17,19,30,33H,5,14-15H2,1-4H3
InChIKey
JRGWDTTXIFPOFJ-UHFFFAOYSA-N
Synonyms

11(3fluorophenyl)10propanoyl3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3fluorophenyl)5propanoyl9(345trimethoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)NC4=CC=CC=C41)C5=CC(=CC=C5)F
InChI=1SC31H31FN2O5c1528(36)342412761122(24)33231419(201626(372)31(394)27(1720)383)1525(35)29(23)30(34)18981021(32)1318h6131617193033H51415H214H3
MFCD02375483
ZINC000000985927
ZINC000000985930

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Available files

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