Vitas-M small molecule compound

1-(4-ethoxyphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea

Catalog ID
STL045100
SMILES CCOc1ccc(cc1)NC(=O)/N=c/1\[nH]nc(s1)COc1cc(C)ccc1C(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 C22H26N4O3S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S/c1-5-28-17-9-7-16(8-10-17)23-21(27)24-22-26-25-20(30-22)13-29-19-12-15(4)6-11-18(19)14(2)3/h6-12,14H,5,13H2,1-4H3,(H2,23,24,26,27)
InChIKey
UJPDJMMOMJCZQM-UHFFFAOYSA-N
Synonyms
426251-64-1
426251641
CCOc1ccc(cc1)NC(=O)N=c1(nH)nc(s1)COc1cc(C)ccc1C(C)C
MFCD03802040
ZINC000017124833

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Available files

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