Vitas-M small molecule compound

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

Catalog ID
STK545786
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccc(cc1)C(C)(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 C35H39FN2O2 MW 538.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39FN2O2/c1-5-6-7-12-32(40)38-30-11-9-8-10-28(30)37-29-21-25(23-13-17-26(18-14-23)35(2,3)4)22-31(39)33(29)34(38)24-15-19-27(36)20-16-24/h8-11,13-20,25,34,37H,5-7,12,21-22H2,1-4H3
InChIKey
PAVOYJYOSFLOFV-UHFFFAOYSA-N
Synonyms
487025-01-4
3(4(tertbutyl)phenyl)11(4fluorophenyl)10hexanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4tertbutylphenyl)11(4fluorophenyl)10hexanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
487025014
9(4tertbutylphenyl)6(4fluorophenyl)5hexanoyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=CC=C(C=C5)F
InChI=1SC35H39FN2O2c15671232(40)383011981028(30)37292125(23131726(181423)35(23)4)2231(39)33(29)34(38)24151927(36)201624h8111320253437H57122122H214H3
MFCD03286663
ZINC000009109147
ZINC000009553781

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Available files

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