Vitas-M small molecule compound
methyl 3-methyl-1-oxo-11-[2-(propan-2-yloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK035288
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccccc1OC(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/c1-14(2)31-20-12-8-5-9-16(20)23-22-19(26-17-10-6-7-11-18(17)27-23)13-15(3)21(24(22)28)25(29)30-4/h5-12,14-15,21,23,26-27H,13H2,1-4H3InChIKey
BFKQYVFCLFCYNH-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4OC(C)C)C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccccc1OC(C)C
InChI=1SC25H28N2O4c114(2)31201285916(20)232219(261710671118(17)2723)1315(3)21(24(22)28)25(29)304h512141521232627H13H214H3
methyl3methyl1oxo11(2(propan2yloxy)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl9methyl7oxo6(2propan2yloxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632671
STK035288
ZINC000000815957
ZINC000012385064
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