Vitas-M small molecule compound
4-[(8S,8aR,11aS)-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]phenyl acetate
Catalog ID
STK545702
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=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/c1-16(33)39-21-11-9-19(10-12-21)31-28(35)23-24(29(31)36)26(27(34)18-6-4-7-20(15-18)32(37)38)30-14-13-17-5-2-3-8-22(17)25(23)30/h2-15,23-26H,1H3/t23-,24+,25?,26-/m0/s1InChIKey
VZSIHNPOKJBQQL-HLMSNRGBSA-NSynonyms
1014062-45-31014062453
4((8S8aR11aS)8((3nitrophenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)phenylacetate
4((8S8aR11aS)8(3nitrobenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=CC=C6)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2cccc(c2)(N+)(=O)(O))C=Cc2c1cccc2
InChI=1SC29H21N3O7c116(33)392111919(101221)3128(35)2324(29(31)36)26(27(34)1864720(1518)32(37)38)30141317523822(17)25(23)30h2152326H1H3t2324+25?26m0s1
MFCD18242231
ZINC000100874281
ZINC000100874287
Check stock
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Check stock on Vitas-MAvailable files
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