Vitas-M small molecule compound
methyl 4-[3-(4-fluorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Catalog ID
STK678373
SMILES CCCCCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccc(cc1)F
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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 C33H33FN2O4 MW 540.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33FN2O4/c1-3-4-5-10-30(38)36-28-9-7-6-8-26(28)35-27-19-24(21-15-17-25(34)18-16-21)20-29(37)31(27)32(36)22-11-13-23(14-12-22)33(39)40-2/h6-9,11-18,24,32,35H,3-5,10,19-20H2,1-2H3InChIKey
IBKWWBSFNCQSPU-UHFFFAOYSA-NSynonyms
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CC=C(C=C5)C(=O)OC
InChI=1SC33H33FN2O4c13451030(38)3628976826(28)35271924(21151725(34)181621)2029(37)31(27)32(36)22111323(141222)33(39)402h691118243235H35101920H212H3
methyl4(3(4fluorophenyl)10hexanoyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(9(4fluorophenyl)5hexanoyl7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03034692
ZINC000053359635
ZINC000053359645
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