Vitas-M small molecule compound
methyl 2-[8-(furan-2-ylcarbonyl)-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate
Catalog ID
STL238364
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C(N1C2c2ccccc2C=C1)C(=O)c1ccco1
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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 C27H20N2O6 MW 468.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O6/c1-34-27(33)17-9-4-5-10-18(17)29-25(31)20-21(26(29)32)23(24(30)19-11-6-14-35-19)28-13-12-15-7-2-3-8-16(15)22(20)28/h2-14,20-23H,1H3InChIKey
IFSXNBBABVUPIP-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CO6
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)c1ccco1
InChI=1SC27H20N2O6c13427(33)179451018(17)2925(31)2021(26(29)32)23(24(30)19116143519)28131215723816(15)22(20)28h2142023H1H3
methyl2((8S8aR11aS)8(furan2carbonyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)benzoate
methyl2(8(furan2ylcarbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)benzoate
MFCD24858813
ZINC000018187581
ZINC000247821996
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