Vitas-M small molecule compound
methyl 4-[10-(cyclopropylcarbonyl)-1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Catalog ID
STK766502
SMILES COC(=O)c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2c(N1C(=O)C1CC1)cccc2
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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 C31H28N2O4 MW 492.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O4/c1-37-31(36)22-15-11-20(12-16-22)29-28-25(17-23(18-27(28)34)19-7-3-2-4-8-19)32-24-9-5-6-10-26(24)33(29)30(35)21-13-14-21/h2-12,15-16,21,23,29,32H,13-14,17-18H2,1H3InChIKey
YWWPINNDSJTXMZ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C6CC6
InChI=1SC31H28N2O4c13731(36)22151120(121622)292825(1723(1827(28)34)197324819)32249561026(24)33(29)30(35)21131421h212151621232932H13141718H21H3
methyl4(10(cyclopropylcarbonyl)1oxo3phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(5(cyclopropanecarbonyl)7oxo9phenyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03036088
ZINC000000718263
ZINC000000718266
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