Vitas-M small molecule compound

methyl 11-(6-chloro-4-oxo-4H-chromen-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

Catalog ID
STK105145
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1coc2c(c1=O)cc(cc2)Cl

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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 C25H21ClN2O5 MW 464.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5/c1-12-9-18-21(24(30)20(12)25(31)32-2)22(28-17-6-4-3-5-16(17)27-18)15-11-33-19-8-7-13(26)10-14(19)23(15)29/h3-8,10-12,20,22,27-28H,9H2,1-2H3
InChIKey
NCEFKNDXPJLFPE-UHFFFAOYSA-N
Synonyms

CC1CC2=C(C(NC3=CC=CC=C3N2)C4=COC5=C(C4=O)C=C(C=C5)Cl)C(=O)C1C(=O)OC
InChI=1SC25H21ClN2O5c11291821(24(30)20(12)25(31)322)22(2817643516(17)2718)151133198713(26)1014(19)23(15)29h38101220222728H9H212H3
methyl11(6chloro4oxo4Hchromen3yl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
METHYL11(6CHLORO4OXOCHROMEN3YL)3METHYL1OXO234TRIHYDRO5H10H11HBENZO(B)BENZO(34F)14DIAZEPINE2CARBOXYLATE
methyl6(6chloro4oxochromen3yl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632406
ZINC000012385075
ZINC000012385078

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Available files

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