Vitas-M small molecule compound

methyl 4-[10-(cyclopropylcarbonyl)-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate

Catalog ID
STK766513
SMILES COC(=O)c1ccc(cc1)C1C2=C(Nc3c(N1C(=O)C1CC1)cccc3)CC(CC2=O)c1ccc(cc1)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 C32H30N2O4 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O4/c1-19-7-9-20(10-8-19)24-17-26-29(28(35)18-24)30(21-11-15-23(16-12-21)32(37)38-2)34(31(36)22-13-14-22)27-6-4-3-5-25(27)33-26/h3-12,15-16,22,24,30,33H,13-14,17-18H2,1-2H3
InChIKey
SXGANHMVGCHPAB-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5CC5)C6=CC=C(C=C6)C(=O)OC)C(=O)C2
InChI=1SC32H30N2O4c1197920(10819)24172629(28(35)1824)30(21111523(161221)32(37)382)34(31(36)22131422)27643525(27)3326h312151622243033H13141718H212H3
methyl4(10(cyclopropylcarbonyl)3(4methylphenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(5(cyclopropanecarbonyl)9(4methylphenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03036102
ZINC000000718122
ZINC000000718125

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Available files

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