Vitas-M small molecule compound
methyl 2-[(3aS,4R,9aS,9bR)-8-cyano-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizin-2(3H)-yl]benzoate
Catalog ID
STK554095
SMILES N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccccc1C(=O)OC)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 C26H18N4O7 MW 498.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N4O7/c1-37-26(34)17-7-2-3-8-18(17)29-24(32)20-19-11-14(13-27)9-10-28(19)22(21(20)25(29)33)23(31)15-5-4-6-16(12-15)30(35)36/h2-12,19-22H,1H3/t19-,20-,21-,22+/m0/s1InChIKey
GJJPJSYLAASNRO-MYGLTJDJSA-NSynonyms
1014082-62-21014082622
COC(=O)C1=CC=CC=C1N2C(=O)C3C4C=C(C=CN4C(C3C2=O)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C#N
InChI=1SC26H18N4O7c13726(34)17723818(17)2924(32)20191114(1327)91028(19)22(21(20)25(29)33)23(31)1554616(1215)30(35)36h2121922H1H3t19202122+m0s1
methyl2((3aS4R9aS9bR)8cyano4((3nitrophenyl)carbonyl)13dioxo3a49a9btetrahydro1Hpyrrolo(34a)indolizin2(3H)yl)benzoate
methyl2((3aS4R9aS9bR)8cyano4(3nitrobenzoyl)13dioxo3a49a9btetrahydropyrrolo(34a)indolizin2yl)benzoate
methyl2((3aS4R9aS9bR)8cyano4(3nitrobenzoyl)13dioxo3a4dihydro1Hpyrrolo(34a)indolizin2(3H9aH9bH)yl)benzoate
MFCD18242773
N#CC1=C(C@@H)2N(C=C1)(C@H)((C@@H)1(C@H)2C(=O)N(C1=O)c1ccccc1C(=O)OC)C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000101027174
ZINC101027174
Check stock
See real-time availability and sample size for STK554095 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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