Vitas-M small molecule compound
methyl 3-methyl-1-oxo-11-[4-(propan-2-yloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK405150
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc(cc1)OC(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)31-17-11-9-16(10-12-17)23-22-20(26-18-7-5-6-8-19(18)27-23)13-15(3)21(24(22)28)25(29)30-4/h5-12,14-15,21,23,26-27H,13H2,1-4H3InChIKey
CBPSBXKFIYDUBV-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC(C)C)C(=O)C1C(=O)OC
InChI=1SC25H28N2O4c114(2)311711916(101217)232220(2618756819(18)2723)1315(3)21(24(22)28)25(29)304h512141521232627H13H214H3
METHYL3METHYL11(4(METHYLETHOXY)PHENYL)1OXO234TRIHYDRO5H10H11HBENZO(B)BENZO(34F)14DIAZEPINE2CARBOXYLATE
methyl3methyl1oxo11(4(propan2yloxy)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl9methyl7oxo6(4propan2yloxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD05857842
ZINC000001428687
ZINC000101329515
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