Vitas-M small molecule compound
methyl 3-methyl-11-(6-methyl-4-oxo-4H-chromen-3-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK093143
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1coc2c(c1=O)cc(cc2)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 C26H24N2O5 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5/c1-13-8-9-20-15(10-13)24(29)16(12-33-20)23-22-19(27-17-6-4-5-7-18(17)28-23)11-14(2)21(25(22)30)26(31)32-3/h4-10,12,14,21,23,27-28H,11H2,1-3H3InChIKey
JUWZJVWFLLJXOW-UHFFFAOYSA-NSynonyms
1005060-31-01005060310
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=COC5=C(C4=O)C=C(C=C5)C)C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1coc2c(c1=O)cc(cc2)C
InChI=1SC26H24N2O5c113892015(1013)24(29)16(123320)232219(2717645718(17)2823)1114(2)21(25(22)30)26(31)323h410121421232728H11H213H3
methyl3methyl11(6methyl4oxo4Hchromen3yl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl9methyl6(6methyl4oxochromen3yl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632464
STK093143
ZINC000000815917
ZINC000006281438
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