Vitas-M small molecule compound
11-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403429
SMILES COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)Cl
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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 C28H27ClN2O4 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O4/c1-33-24-14-18(15-25(34-2)28(24)35-3)17-12-22-26(23(32)13-17)27(16-8-10-19(29)11-9-16)31-21-7-5-4-6-20(21)30-22/h4-11,14-15,17,27,30-31H,12-13H2,1-3H3InChIKey
BRFJDWFXQRLKHK-UHFFFAOYSA-NSynonyms
11(4chlorophenyl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4chlorophenyl)9(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)Cl)C(=O)C2
InChI=1SC28H27ClN2O4c133241418(1525(342)28(24)353)17122226(23(32)1317)27(1681019(29)11916)3121754620(21)3022h411141517273031H1213H213H3
MFCD03489263
ZINC000000729488
ZINC000000729491
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