Vitas-M small molecule compound

11-(5-chlorothiophen-2-yl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK080584
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(s1)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 C25H23ClN2O3S MW 466.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O3S/c1-30-20-8-7-14(13-21(20)31-2)15-11-18-24(19(29)12-15)25(22-9-10-23(26)32-22)28-17-6-4-3-5-16(17)27-18/h3-10,13,15,25,27-28H,11-12H2,1-2H3
InChIKey
YXXKGOBXKXZGPI-UHFFFAOYSA-N
Synonyms

11(5chlorothiophen2yl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(5chlorothiophen2yl)9(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(S5)Cl)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(s1)Cl
InChI=1SC25H23ClN2O3Sc130208714(1321(20)312)15111824(19(29)1215)25(2291023(26)3222)2817643516(17)2718h3101315252728H1112H212H3
MFCD03307908
STK080584
ZINC000000720550
ZINC000000720553

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Available files

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