Vitas-M small molecule compound

1-(5-{[4-(butan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethylphenyl)urea

Catalog ID
STK020728
SMILES CCC(c1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1ccc(c(c1)C)C)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 C22H26N4O2S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S/c1-5-14(2)17-7-10-19(11-8-17)28-13-20-25-26-22(29-20)24-21(27)23-18-9-6-15(3)16(4)12-18/h6-12,14H,5,13H2,1-4H3,(H2,23,24,26,27)
InChIKey
AGBGPZBVVPKMTG-UHFFFAOYSA-N
Synonyms
429625-89-8
1((2Z)5((4(BUTAN2YL)PHENOXY)METHYL)134THIADIAZOL2(3H)YLIDENE)3(34DIMETHYLPHENYL)UREA
1(5((4((2S)BUTAN2YL)PHENOXY)METHYL)134THIADIAZOL2YL)3(34DIMETHYLPHENYL)UREA
1(5((4(BUTAN2YL)PHENOXY)METHYL)134THIADIAZOL2YL)3(34DIMETHYLPHENYL)UREA
1(5((4(secbutyl)phenoxy)methyl)134thiadiazol2yl)3(34dimethylphenyl)urea
1(5((4BUTAN2YLPHENOXY)METHYL)134THIADIAZOL2YL)3(34DIMETHYLPHENYL)UREA
CCC(C)C1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)C)C
CCC(c1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1ccc(c(c1)C)C)C
InChI=1SC22H26N4O2Sc1514(2)1771019(11817)281320252622(2920)2421(27)23189615(3)16(4)1218h61214H513H214H3(H223242627)
MFCD02921878
STK020728
ZINC000001245360
ZINC000001245362

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Available files

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