Vitas-M small molecule compound
1-{1-hydroxy-3,3-dimethyl-11-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one
Catalog ID
STL528464
SMILES CCC(=O)N1C(CC2CC=C(C2(C)C)C)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 C27H36N2O2 MW 420.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O2/c1-7-24(31)29-21-11-9-8-10-19(21)28-20-15-26(3,4)16-23(30)25(20)22(29)14-18-13-12-17(2)27(18,5)6/h8-12,18,22,30H,7,13-16H2,1-6H3InChIKey
IHXLCLUTSHQOPT-UHFFFAOYSA-NSynonyms
1(1hydroxy33dimethyl11((223trimethylcyclopent3en1yl)methyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)propan1one
InChI=1SC27H36N2O2c1724(31)292111981019(21)28201526(34)1623(30)25(20)22(29)1418131217(2)27(185)6h812182230H71316H216H3
MFCD03807943
ZINC000102788480
ZINC000102788485
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