Vitas-M small molecule compound
11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403454
SMILES CCOc1cc(cc(c1OC)Br)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 C26H25BrN2O3S MW 525.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O3S/c1-3-32-22-14-16(11-17(27)26(22)31-2)25-24-20(28-18-7-4-5-8-19(18)29-25)12-15(13-21(24)30)23-9-6-10-33-23/h4-11,14-15,25,28-29H,3,12-13H2,1-2H3InChIKey
GWFQPXVRAYVOEK-UHFFFAOYSA-NSynonyms
11(3bromo5ethoxy4methoxyphenyl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo5ethoxy4methoxyphenyl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=CC=CC=C5N2)Br)OC
InChI=1SC26H25BrN2O3Sc1332221416(1117(27)26(22)312)252420(2818745819(18)2925)1215(1321(24)30)2396103323h4111415252829H31213H212H3
MFCD03489292
ZINC000000729528
ZINC000000729531
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