Vitas-M small molecule compound

N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide

Catalog ID
STK516711
SMILES O=C(Nc1nnc(s1)SCc1ccccc1)CCN1C(=O)C2C(C1=O)C1CC2C=C1

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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 C21H20N4O3S2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S2/c26-15(22-20-23-24-21(30-20)29-11-12-4-2-1-3-5-12)8-9-25-18(27)16-13-6-7-14(10-13)17(16)19(25)28/h1-7,13-14,16-17H,8-11H2,(H,22,23,26)
InChIKey
DITNQGRWJUCZBS-UHFFFAOYSA-N
Synonyms
C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=NN=C(S4)SCC5=CC=CC=C5
N(5(benzylsulfanyl)134thiadiazol2yl)3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)propanamide
Registry IDs
MFCD07413812
ZINC000100954385
ZINC000103180535

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Available files

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