Vitas-M small molecule compound
methyl 4-[3-(3-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Catalog ID
STK047126
SMILES COc1cccc(c1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)C(=O)OC
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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 C28H26N2O4 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O4/c1-33-21-7-5-6-19(14-21)20-15-24-26(25(31)16-20)27(30-23-9-4-3-8-22(23)29-24)17-10-12-18(13-11-17)28(32)34-2/h3-14,20,27,29-30H,15-16H2,1-2H3InChIKey
SWIBZQLXQNJJBO-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(=O)OC)C(=O)C2
COc1cccc(c1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)C(=O)OC
InChI=1SC28H26N2O4c1332175619(1421)20152426(25(31)1620)27(3023943822(23)2924)17101218(131117)28(32)342h31420272930H1516H212H3
methyl4(3(3methoxyphenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(9(3methoxyphenyl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03489299
STK047126
ZINC000001434798
ZINC000001434801
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