Vitas-M small molecule compound

1-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl}proline

Catalog ID
STL350206
SMILES N#Cc1cc2CCCc2nc1SCC(=O)N1CCCC1C(=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 C16H17N3O3S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3S/c17-8-11-7-10-3-1-4-12(10)18-15(11)23-9-14(20)19-6-2-5-13(19)16(21)22/h7,13H,1-6,9H2,(H,21,22)
InChIKey
YSRCAOXCAWKYHU-UHFFFAOYSA-N
Synonyms

(S)1(2((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)thio)acetyl)pyrrolidine2carboxylicacid
1(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetyl)proline
1(2((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetyl)pyrrolidine2carboxylicacid
C1CC(N(C1)C(=O)CSC2=NC3=C(CCC3)C=C2C#N)C(=O)O
InChI=1SC16H17N3O3Sc1781171031412(10)1815(11)23914(20)1962513(19)16(21)22h713H169H2(H2122)
MFCD28032330
N#Cc1cc2CCCc2nc1SCC(=O)N1CCC(C@H)1C(=O)O
ZINC000008783397
ZINC000008783398

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Available files

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