Vitas-M small molecule compound
11-(3-bromo-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK061575
SMILES COc1ccc(cc1Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cccs1
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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 C24H21BrN2O2S MW 481.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN2O2S/c1-29-21-9-8-14(11-16(21)25)24-23-19(26-17-5-2-3-6-18(17)27-24)12-15(13-20(23)28)22-7-4-10-30-22/h2-11,15,24,26-27H,12-13H2,1H3InChIKey
LRLFNDUUWCQSOU-UHFFFAOYSA-NSynonyms
524001-14-711(3bromo4methoxyphenyl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
524001147
6(3bromo4methoxyphenyl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=CC=CC=C5N2)Br
COc1ccc(cc1Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cccs1
InChI=1SC24H21BrN2O2Sc129219814(1116(21)25)242319(2617523618(17)2724)1215(1320(23)28)2274103022h21115242627H1213H21H3
MFCD03489237
STK061575
ZINC000001077213
ZINC000001077219
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