Vitas-M small molecule compound

3-methyl-N-(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

Catalog ID
STK232967
SMILES Cc1cccc(c1)C(=O)Nc1nnc(s1)SCC(=O)N1CCCC1

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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 C16H18N4O2S2 MW 362.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O2S2/c1-11-5-4-6-12(9-11)14(22)17-15-18-19-16(24-15)23-10-13(21)20-7-2-3-8-20/h4-6,9H,2-3,7-8,10H2,1H3,(H,17,18,22)
InChIKey
IKICPFDBBMRUJY-UHFFFAOYSA-N
Synonyms

3METHYLN(5((2OXO2(PYRROLIDIN1YL)ETHYL)SULFANYL)134THIADIAZOL2YL)BENZAMIDE
3METHYLN(5(2OXO2PYRROLIDIN1YLETHYL)SULFANYL134THIADIAZOL2YL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)N3CCCC3
InChI=1SC16H18N4O2S2c11154612(911)14(22)1715181916(2415)231013(21)20723820h469H237810H21H3(H171822)
MFCD03996198
ZINC000001144494
ZINC01144494
ZINC1144494

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Available files

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