Vitas-M small molecule compound
11-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK784654
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(C)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 C30H31ClN2O3 MW 503.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN2O3/c1-4-35-27-15-19(13-14-26(27)36-18-20-9-5-6-10-21(20)31)29-28-24(16-30(2,3)17-25(28)34)32-22-11-7-8-12-23(22)33-29/h5-15,29,32-33H,4,16-18H2,1-3H3InChIKey
PGDRTHVVQXCMLD-UHFFFAOYSA-NSynonyms
11(4((2chlorobenzyl)oxy)3ethoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4((2chlorophenyl)methoxy)3ethoxyphenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2)OCC5=CC=CC=C5Cl
InChI=1SC30H31ClN2O3c1435271519(131426(27)3618209561021(20)31)292824(1630(23)1725(28)34)322211781223(22)3329h515293233H41618H213H3
MFCD07022794
ZINC000012411626
ZINC000012411627
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