Vitas-M small molecule compound
4-{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}phenyl acetate
Catalog ID
STL232568
SMILES COc1ccc(cc1OC)C(=O)C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1ccc(cc1)OC(=O)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 C31H26N2O7 MW 538.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O7/c1-17(34)40-21-11-9-20(10-12-21)33-30(36)25-26(31(33)37)28(29(35)19-8-13-23(38-2)24(16-19)39-3)32-15-14-18-6-4-5-7-22(18)27(25)32/h4-16,25-28H,1-3H3InChIKey
YQHVLXHZIIXKOI-UHFFFAOYSA-NSynonyms
4((8S8aR11aS)8(34dimethoxybenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)phenylacetate
4(8((34dimethoxyphenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=C(C=C6)OC)OC
COc1ccc(cc1OC)C(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc(cc1)OC(=O)C
InChI=1SC31H26N2O7c117(34)402111920(101221)3330(36)2526(31(33)37)28(29(35)1981323(382)24(1619)393)32151418645722(18)27(25)32h4162528H13H3
MFCD07208882
ZINC000101136481
ZINC000103522538
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