Vitas-M small molecule compound

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

Catalog ID
STK086999
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccco1)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 C33H38N2O3 MW 510.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O3/c1-5-6-7-14-30(37)35-27-12-9-8-11-25(27)34-26-20-23(22-15-17-24(18-16-22)33(2,3)4)21-28(36)31(26)32(35)29-13-10-19-38-29/h8-13,15-19,23,32,34H,5-7,14,20-21H2,1-4H3
InChIKey
JSUPHSLJZOSFQO-UHFFFAOYSA-N
Synonyms
523992-50-9
3(4(TERTBUTYL)PHENYL)11(2FURYL)10HEXANOYL234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4(tertbutyl)phenyl)11(furan2yl)10hexanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4tertbutylphenyl)11(furan2yl)10hexanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523992509
9(4tertbutylphenyl)6(furan2yl)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=CO5
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccco1)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C
InChI=1SC33H38N2O3c15671430(37)352712981125(27)34262023(22151724(181622)33(23)4)2128(36)31(26)32(35)291310193829h8131519233234H57142021H214H3
MFCD03488958
STK086999
ZINC000009452029
ZINC000018137564

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Available files

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