Vitas-M small molecule compound
4-{[(6aS,6bR,9aS,10R)-8-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-10-yl]carbonyl}phenyl acetate
Catalog ID
STK550509
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1c2cccc1
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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)39-21-13-6-18(7-14-21)27(34)26-25-24(23-15-8-17-4-2-3-5-22(17)31(23)26)28(35)30(29(25)36)19-9-11-20(12-10-19)32(37)38/h2-15,23-26H,1H3/t23-,24-,25-,26+/m0/s1InChIKey
VHVQTJYZTZFYLP-ASDGIDEWSA-NSynonyms
1014079-78-71014079787
4(((6aS6bR9aS10R)8(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin10yl)carbonyl)phenylacetate
4((6aS6bR9aS10R)8(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC=C(C=C6)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2(C@H)((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc(cc1)(N+)(=O)(O))C=Cc1c2cccc1
InChI=1SC29H21N3O7c116(33)392113618(71421)27(34)262524(2315817423522(17)31(23)26)28(35)30(29(25)36)1991120(121019)32(37)38h2152326H1H3t23242526+m0s1
MFCD18242527
ZINC000100989207
ZINC100989207
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.