Vitas-M small molecule compound
11-(3-bromophenyl)-3-(4-methylphenyl)-10-[(3,4,5-trimethoxyphenyl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK131748
SMILES COc1c(OC)cc(cc1OC)C(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)Br)C(=O)CC(C2)c1ccc(cc1)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 C36H33BrN2O5 MW 653.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33BrN2O5/c1-21-12-14-22(15-13-21)24-17-28-33(30(40)18-24)34(23-8-7-9-26(37)16-23)39(29-11-6-5-10-27(29)38-28)36(41)25-19-31(42-2)35(44-4)32(20-25)43-3/h5-16,19-20,24,34,38H,17-18H2,1-4H3InChIKey
MVQGIUXJCBTBCJ-UHFFFAOYSA-NSynonyms
11(3bromophenyl)3(4methylphenyl)10((345trimethoxyphenyl)carbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(3bromophenyl)3(ptolyl)10(345trimethoxybenzoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromophenyl)9(4methylphenyl)5(345trimethoxybenzoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC(=CC=C6)Br)C(=O)C2
InChI=1SC36H33BrN2O5c121121422(151321)24172833(30(40)1824)34(2387926(37)1623)39(2911651027(29)3828)36(41)251931(422)35(444)32(2025)433h5161920243438H1718H214H3
MFCD02375473
ZINC000098045241
ZINC000098045244
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