Vitas-M small molecule compound
(3aS,4R,9aS,9bR)-2-(4-methylphenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Catalog ID
STK553580
SMILES N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1)C)C(=O)c1cccc(c1)[N+](=O)[O-]
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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 C25H18N4O5 MW 454.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O5/c1-14-5-7-17(8-6-14)28-24(31)20-19-11-15(13-26)9-10-27(19)22(21(20)25(28)32)23(30)16-3-2-4-18(12-16)29(33)34/h2-12,19-22H,1H3/t19-,20-,21-,22+/m0/s1InChIKey
LRYGJZHKKUCEHX-MYGLTJDJSA-NSynonyms
1014080-23-9(3aS4R9aS9bR)2(4methylphenyl)4((3nitrophenyl)carbonyl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)2(4methylphenyl)4(3nitrobenzoyl)13dioxo3a49a9btetrahydropyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)4(3nitrobenzoyl)13dioxo2(ptolyl)233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
1014080239
CC1=CC=C(C=C1)N2C(=O)C3C4C=C(C=CN4C(C3C2=O)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C#N
InChI=1SC25H18N4O5c1145717(8614)2824(31)20191115(1326)91027(19)22(21(20)25(28)32)23(30)1632418(1216)29(33)34h2121922H1H3t19202122+m0s1
MFCD18242727
N#CC1=C(C@@H)2N(C=C1)(C@H)((C@@H)1(C@H)2C(=O)N(C1=O)c1ccc(cc1)C)C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000016039045
ZINC16039045
Check stock
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Check stock on Vitas-MAvailable files
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