Vitas-M small molecule compound
11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK092462
SMILES CCOc1cc(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 C25H23BrN2O3S MW 511.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O3S/c1-2-31-21-13-15(10-16(26)25(21)30)24-23-19(27-17-6-3-4-7-18(17)28-24)11-14(12-20(23)29)22-8-5-9-32-22/h3-10,13-14,24,27-28,30H,2,11-12H2,1H3InChIKey
IQQYFMUEUBWVGS-UHFFFAOYSA-NSynonyms
11(3BROMO5ETHOXY4HYDROXYPHENYL)3(2THIENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
11(3bromo5ethoxy4hydroxyphenyl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo5ethoxy4hydroxyphenyl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=CC=CC=C5N2)Br)O
CCOc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cccs1
InChI=1SC25H23BrN2O3Sc1231211315(1016(26)25(21)30)242319(2717634718(17)2824)1114(1220(23)29)228593222h310131424272830H21112H21H3
MFCD03371061
STK092462
ZINC000000720660
ZINC000000720665
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