Vitas-M small molecule compound
methyl 2-{8-[(3,4-dimethoxyphenyl)carbonyl]-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
STL236748
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(c(c2)OC)OC)C=Cc2c1cccc2
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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 C31H26N2O7 MW 538.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O7/c1-38-22-13-12-18(16-23(22)39-2)28(34)27-25-24(26-19-9-5-4-8-17(19)14-15-32(26)27)29(35)33(30(25)36)21-11-7-6-10-20(21)31(37)40-3/h4-16,24-27H,1-3H3InChIKey
JHCQDXIUCNARGN-UHFFFAOYSA-NSynonyms
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(c(c2)OC)OC)C=Cc2c1cccc2
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC=C6C(=O)OC)OC
InChI=1SC31H26N2O7c13822131218(1623(22)392)28(34)272524(2619954817(19)141532(26)27)29(35)33(30(25)36)2111761020(21)31(37)403h4162427H13H3
methyl2((8S8aR11aS)8(34dimethoxybenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)benzoate
methyl2(8((34dimethoxyphenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)benzoate
MFCD24858670
ZINC000002407198
ZINC000101343096
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