Vitas-M small molecule compound

methyl 4-(2-benzyl-7-methyl-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate

Catalog ID
STK515373
SMILES COC(=O)c1ccc(cc1)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)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 C27H21NO5 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO5/c1-16-8-13-21-20(14-16)24(29)22-23(18-9-11-19(12-10-18)27(31)32-2)28(26(30)25(22)33-21)15-17-6-4-3-5-7-17/h3-14,23H,15H2,1-2H3
InChIKey
MSIUSDIQEQFPGH-UHFFFAOYSA-N
Synonyms
850241-25-7
850241257
CC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)CC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC
InChI=1SC27H21NO5c1168132120(1416)24(29)2223(1891119(121018)27(31)322)28(26(30)25(22)3321)15176435717h31423H15H212H3
methyl4(2benzyl7methyl39dioxo1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
METHYL4(2BENZYL7METHYL39DIOXO1HCHROMENO(23C)PYRROL1YL)BENZOATE
MFCD05691894
ZINC000002380271
ZINC000002380273

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.