Vitas-M small molecule compound

N-[5-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

Catalog ID
STK016979
SMILES O=C(Nc1nnc(s1)SCC(=O)Nc1ccc(cc1C)C)CCc1ccccc1

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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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-14-8-10-17(15(2)12-14)22-19(27)13-28-21-25-24-20(29-21)23-18(26)11-9-16-6-4-3-5-7-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKey
WRMZFRYPWKZHQO-UHFFFAOYSA-N
Synonyms
477214-62-3
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3)C
InChI=1SC21H22N4O2S2c11481017(15(2)1214)2219(27)132821252420(2921)2318(26)119166435716h381012H91113H212H3(H2227)(H232426)
MFCD03356279
N((2E)5((2((24DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)134THIADIAZOL2(3H)YLIDENE)3PHENYLPROPANAMIDE
N(5((2((24DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)134THIADIAZOL2YL)3PHENYLPROPANAMIDE
N(5((2((24dimethylphenyl)amino)2oxoethyl)thio)134thiadiazol2yl)3phenylpropanamide
N(5(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL134THIADIAZOL2YL)3PHENYLPROPANAMIDE
O=C(Nc1nnc(s1)SCC(=O)Nc1ccc(cc1C)C)CCc1ccccc1
STK016979
ZINC000009108805
ZINC09108805
ZINC9108805

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Available files

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