Vitas-M small molecule compound
methyl 4-[10-acetyl-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Catalog ID
STK842460
SMILES COC(=O)c1ccc(cc1)C1C2=C(Nc3c(N1C(=O)C)cccc3)CC(CC2=O)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 C30H28N2O4 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O4/c1-18-8-10-20(11-9-18)23-16-25-28(27(34)17-23)29(21-12-14-22(15-13-21)30(35)36-3)32(19(2)33)26-7-5-4-6-24(26)31-25/h4-15,23,29,31H,16-17H2,1-3H3InChIKey
DFIWWTJUHYTFJB-UHFFFAOYSA-NSynonyms
442570-10-7442570107
CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C)C5=CC=C(C=C5)C(=O)OC)C(=O)C2
InChI=1SC30H28N2O4c11881020(11918)23162528(27(34)1723)29(21121422(151321)30(35)363)32(19(2)33)26754624(26)3125h415232931H1617H213H3
methyl4(10acetyl1oxo3(ptolyl)23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(10acetyl3(4methylphenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(5acetyl9(4methylphenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03303770
ZINC000009331815
ZINC000009331821
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