Vitas-M small molecule compound

11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-10-propyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK261676
SMILES CCCN1c2ccccc2NC2=C(C1c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C(=O)CC(C2)c1ccc(cc1)F

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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 C36H43FN2O2 MW 554.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43FN2O2/c1-8-17-39-30-12-10-9-11-28(30)38-29-20-23(22-13-15-25(37)16-14-22)21-31(40)32(29)33(39)24-18-26(35(2,3)4)34(41)27(19-24)36(5,6)7/h9-16,18-19,23,33,38,41H,8,17,20-21H2,1-7H3
InChIKey
LDVRSCVKOXAOLH-UHFFFAOYSA-N
Synonyms

11(35BIS(TERTBUTYL)4HYDROXYPHENYL)3(4FLUOROPHENYL)10PROPYL234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
11(35ditertbutyl4hydroxyphenyl)3(4fluorophenyl)10propyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(35ditertbutyl4hydroxyphenyl)9(4fluorophenyl)5propyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCN1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C
InChI=1SC36H43FN2O2c18173930121091128(30)38292023(22131525(37)161422)2131(40)32(29)33(39)241826(35(23)4)34(41)27(1924)36(56)7h916181923333841H8172021H217H3
MFCD03946448
ZINC000005946713
ZINC000229895579

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Available files

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