Vitas-M small molecule compound
(3aS,4R,9aS,9bR)-2-(naphthalen-2-yl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Catalog ID
STK554255
SMILES N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc2c(c1)cccc2)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 C28H18N4O5 MW 490.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N4O5/c29-15-16-10-11-30-22(12-16)23-24(25(30)26(33)19-6-3-7-21(14-19)32(36)37)28(35)31(27(23)34)20-9-8-17-4-1-2-5-18(17)13-20/h1-14,22-25H/t22-,23-,24-,25+/m0/s1InChIKey
WTPJFJSDCQNWJK-OJJQZRKESA-NSynonyms
1014100-87-8(3aS4R9aS9bR)2(naphthalen2yl)4((3nitrophenyl)carbonyl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)2(naphthalen2yl)4(3nitrobenzoyl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)2naphthalen2yl4(3nitrobenzoyl)13dioxo3a49a9btetrahydropyrrolo(34a)indolizine8carbonitrile
1014100878
C1=CC=C2C=C(C=CC2=C1)N3C(=O)C4C5C=C(C=CN5C(C4C3=O)C(=O)C6=CC(=CC=C6)(N+)(=O)(O))C#N
InChI=1SC28H18N4O5c29151610113022(1216)2324(25(30)26(33)1963721(1419)32(36)37)28(35)31(27(23)34)209817412518(17)1320h1142225Ht22232425+m0s1
MFCD18242787
N#CC1=C(C@@H)2N(C=C1)(C@H)((C@@H)1(C@H)2C(=O)N(C1=O)c1ccc2c(c1)cccc2)C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000101027900
ZINC101027900
Check stock
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Check stock on Vitas-MAvailable files
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