Vitas-M small molecule compound

2-(4-chloro-3-nitrophenyl)-4-[(4-methylphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione

Catalog ID
STK598794
SMILES Cc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C23H20ClN3O5 MW 453.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O5/c1-12-4-6-13(7-5-12)21(28)20-19-18(16-3-2-10-25(16)20)22(29)26(23(19)30)14-8-9-15(24)17(11-14)27(31)32/h4-9,11,16,18-20H,2-3,10H2,1H3
InChIKey
XMUPEQLYMANZPM-UHFFFAOYSA-N
Synonyms
1024307-32-1
1024307321
2(4chloro3nitrophenyl)4((4methylphenyl)carbonyl)hexahydropyrrolo(34a)pyrrolizine13(2H4H)dione
2(4chloro3nitrophenyl)4(4methylbenzoyl)46788a8bhexahydro3aHpyrrolo(34a)pyrrolizine13dione
2(4chloro3nitrophenyl)4(4methylbenzoyl)hexahydropyrrolo(34a)pyrrolizine13(2H8bH)dione
CC1=CC=C(C=C1)C(=O)C2C3C(C4N2CCC4)C(=O)N(C3=O)C5=CC(=C(C=C5)Cl)(N+)(=O)(O)
Cc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC23H20ClN3O5c1124613(7512)21(28)201918(16321025(16)20)22(29)26(23(19)30)148915(24)17(1114)27(31)32h4911161820H2310H21H3
MFCD06780781
ZINC000009109391
ZINC000245329075

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Available files

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