Vitas-M small molecule compound
(3aS,4R,9aS,9bR)-2-(2,4-dimethylphenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Catalog ID
STK554262
SMILES N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1C)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 C26H20N4O5 MW 468.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O5/c1-14-6-7-19(15(2)10-14)29-25(32)21-20-11-16(13-27)8-9-28(20)23(22(21)26(29)33)24(31)17-4-3-5-18(12-17)30(34)35/h3-12,20-23H,1-2H3/t20-,21-,22-,23+/m0/s1InChIKey
CXFRDMWUCFEAGE-CWBXHPNXSA-NSynonyms
1014101-00-8(3aS4R9aS9bR)2(24dimethylphenyl)4((3nitrophenyl)carbonyl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)2(24dimethylphenyl)4(3nitrobenzoyl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)2(24dimethylphenyl)4(3nitrobenzoyl)13dioxo3a49a9btetrahydropyrrolo(34a)indolizine8carbonitrile
1014101008
CC1=CC(=C(C=C1)N2C(=O)C3C4C=C(C=CN4C(C3C2=O)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C#N)C
InChI=1SC26H20N4O5c1146719(15(2)1014)2925(32)21201116(1327)8928(20)23(22(21)26(29)33)24(31)1743518(1217)30(34)35h3122023H12H3t20212223+m0s1
MFCD18242788
N#CC1=C(C@@H)2N(C=C1)(C@H)((C@@H)1(C@H)2C(=O)N(C1=O)c1ccc(cc1C)C)C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000016039189
ZINC16039189
Check stock
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Check stock on Vitas-MAvailable files
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