Vitas-M small molecule compound

1-butyl-N-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

Catalog ID
STK260700
SMILES CCCCN1CC(CC1=O)C(=O)Nc1ccc(c(c1)Cl)C#N

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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 C16H18ClN3O2 MW 319.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN3O2/c1-2-3-6-20-10-12(7-15(20)21)16(22)19-13-5-4-11(9-18)14(17)8-13/h4-5,8,12H,2-3,6-7,10H2,1H3,(H,19,22)
InChIKey
KRTCORKWAODXKB-UHFFFAOYSA-N
Synonyms
897746-42-8
(1BUTYL5OXOPYRROLIDIN3YL)N(3CHLORO4CYANOPHENYL)CARBOXAMIDE
1butylN(3chloro4cyanophenyl)5oxopyrrolidine3carboxamide
897746428
CCCCN1CC(CC1=O)C(=O)NC2=CC(=C(C=C2)C#N)Cl
InChI=1SC16H18ClN3O2c1236201012(715(20)21)16(22)19135411(918)14(17)813h45812H236710H21H3(H1922)
MFCD08092474
ZINC000008270495
ZINC000008270500

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.