Vitas-M small molecule compound
methyl 2-{8-[(3-nitrophenyl)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
STL234465
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2cccc(c2)[N+](=O)[O-])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 C29H21N3O7 MW 523.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O7/c1-39-29(36)20-11-4-5-12-21(20)31-27(34)22-23(28(31)35)25(26(33)17-8-6-9-18(15-17)32(37)38)30-14-13-16-7-2-3-10-19(16)24(22)30/h2-15,22-25H,1H3InChIKey
ZZKKLEDVRBESCF-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=CC=C6)(N+)(=O)(O)
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2cccc(c2)(N+)(=O)(O))C=Cc2c1cccc2
COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2cccc(c2)(N+)(=O)(O))C=Cc2c1cccc2
InChI=1SC29H21N3O7c13929(36)2011451221(20)3127(34)2223(28(31)35)25(26(33)1786918(1517)32(37)38)301413167231019(16)24(22)30h2152225H1H3
methyl2((8S8aR11aS)8(3nitrobenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)benzoate
methyl2(8((3nitrophenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)benzoate
MFCD07198901
ZINC000100892240
ZINC000247871710
Check stock
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Check stock on Vitas-MAvailable files
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