Vitas-M small molecule compound
11-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK003919
SMILES CCOc1cc(cc(c1O)Cl)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccccc1
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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 C27H25ClN2O3 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O3/c1-2-33-24-15-18(12-19(28)27(24)32)26-25-22(29-20-10-6-7-11-21(20)30-26)13-17(14-23(25)31)16-8-4-3-5-9-16/h3-12,15,17,26,29-30,32H,2,13-14H2,1H3InChIKey
FGSYIARSMXGJTE-UHFFFAOYSA-NSynonyms
11(3chloro5ethoxy4hydroxyphenyl)3phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3chloro5ethoxy4hydroxyphenyl)9phenyl56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2)Cl)O
CCOc1cc(cc(c1O)Cl)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccccc1
InChI=1SC27H25ClN2O3c1233241518(1219(28)27(24)32)262522(292010671121(20)3026)1317(1423(25)31)168435916h312151726293032H21314H21H3
MFCD02104320
STK003919
ZINC000001438094
ZINC000001438097
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