Vitas-M small molecule compound

N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK848519
SMILES C=CCn1c(SCC(=O)/N=c/2\[nH]nc(s2)CC)nnc1c1ccccc1O

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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 C17H18N6O2S2 MW 402.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O2S2/c1-3-9-23-15(11-7-5-6-8-12(11)24)20-22-17(23)26-10-13(25)18-16-21-19-14(4-2)27-16/h3,5-8,24H,1,4,9-10H2,2H3,(H,18,21,25)
InChIKey
KHAUMXOKQDAEPD-UHFFFAOYSA-N
Synonyms
831206-69-0
831206690
C=CCn1c(SCC(=O)N=c2(nH)nc(s2)CC)nnc1c1ccccc1O
MFCD07793581
N((2E)5ethyl134thiadiazol2(3H)ylidene)2((5(2hydroxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide

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Available files

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