Vitas-M small molecule compound
3-(4-tert-butylphenyl)-11-(4-methylphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK025920
SMILES Cc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)C(F)(F)F)cccc2
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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 C32H31F3N2O2 MW 532.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31F3N2O2/c1-19-9-11-21(12-10-19)29-28-25(36-24-7-5-6-8-26(24)37(29)30(39)32(33,34)35)17-22(18-27(28)38)20-13-15-23(16-14-20)31(2,3)4/h5-16,22,29,36H,17-18H2,1-4H3InChIKey
VWXYEYCOPUXSRN-UHFFFAOYSA-NSynonyms
3(4(TERTBUTYL)PHENYL)11(4METHYLPHENYL)10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4tertbutylphenyl)11(4methylphenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)6(4methylphenyl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)C(C)(C)C)NC5=CC=CC=C5N2C(=O)C(F)(F)F
Cc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)C(F)(F)F)cccc2
InChI=1SC32H31F3N2O2c11991121(121019)292825(3624756826(24)37(29)30(39)32(3334)35)1722(1827(28)38)20131523(161420)31(23)4h516222936H1718H214H3
MFCD03488963
STK025920
ZINC000097945615
ZINC000097945618
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