Vitas-M small molecule compound
11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403161
SMILES COc1cc(cc(c1O)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 C24H21BrN2O3S MW 497.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN2O3S/c1-30-20-12-14(9-15(25)24(20)29)23-22-18(26-16-5-2-3-6-17(16)27-23)10-13(11-19(22)28)21-7-4-8-31-21/h2-9,12-13,23,26-27,29H,10-11H2,1H3InChIKey
IPSHTUJRJRRVPR-UHFFFAOYSA-NSynonyms
11(3bromo4hydroxy5methoxyphenyl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo4hydroxy5methoxyphenyl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=CC=CC=C5N2)Br)O
InChI=1SC24H21BrN2O3Sc130201214(915(25)24(20)29)232218(2616523617(16)2723)1013(1119(22)28)217483121h29121323262729H1011H21H3
MFCD03146337
ZINC000001155585
ZINC000001155588
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