Vitas-M small molecule compound

1-(4-methylphenyl)-3-(5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea

Catalog ID
STK050051
SMILES C=CCc1ccccc1OCc1nnc(s1)NC(=O)Nc1ccc(cc1)C

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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 C20H20N4O2S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S/c1-3-6-15-7-4-5-8-17(15)26-13-18-23-24-20(27-18)22-19(25)21-16-11-9-14(2)10-12-16/h3-5,7-12H,1,6,13H2,2H3,(H2,21,22,24,25)
InChIKey
KRJXHFJLINSOTO-UHFFFAOYSA-N
Synonyms
426238-45-1
1(4METHYLPHENYL)3((2Z)5((2(PROP2EN1YL)PHENOXY)METHYL)134THIADIAZOL2(3H)YLIDENE)UREA
1(4METHYLPHENYL)3(5((2(PROP2EN1YL)PHENOXY)METHYL)134THIADIAZOL2YL)UREA
1(4METHYLPHENYL)3(5((2PROP2ENYLPHENOXY)METHYL)134THIADIAZOL2YL)UREA
1(5((2allylphenoxy)methyl)134thiadiazol2yl)3(ptolyl)urea
C=CCc1ccccc1OCc1nnc(s1)NC(=O)Nc1ccc(cc1)C
CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=CC=C3CC=C
InChI=1SC20H20N4O2Sc13615745817(15)261318232420(2718)2219(25)211611914(2)101216h35712H1613H22H3(H221222425)
MFCD02638618
STK050051
ZINC000009165418
ZINC09165418
ZINC9165418

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Available files

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