Vitas-M small molecule compound
1-[1-hydroxy-11-(4-hydroxy-3-methoxyphenyl)-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
Catalog ID
STL528474
SMILES CCC(=O)N1C(c2ccc(c(c2)OC)O)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C
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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 C25H28N2O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4/c1-5-22(30)27-18-9-7-6-8-16(18)26-17-13-25(2,3)14-20(29)23(17)24(27)15-10-11-19(28)21(12-15)31-4/h6-12,24,28-29H,5,13-14H2,1-4H3InChIKey
HTYLMSMBCYJDMK-UHFFFAOYSA-NSynonyms
1(1hydroxy11(4hydroxy3methoxyphenyl)33dimethyl23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)propan1one
InChI=1SC25H28N2O4c1522(30)2718976816(18)26171325(23)1420(29)23(17)24(27)15101119(28)21(1215)314h612242829H51314H214H3
MFCD03795276
ZINC000102788854
ZINC000102788856
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