Vitas-M small molecule compound

1-[(2Z)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)urea

Catalog ID
STK846219
SMILES COc1ccccc1NC(=O)/N=c\1/[nH]nc(s1)SCc1ccccc1

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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 C17H16N4O2S2 MW 372.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O2S2/c1-23-14-10-6-5-9-13(14)18-15(22)19-16-20-21-17(25-16)24-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,18,19,20,22)
InChIKey
UHCFZRBVFVTPKD-UHFFFAOYSA-N
Synonyms
426235-85-0
1((2Z)5(benzylsulfanyl)134thiadiazol2(3H)ylidene)3(2methoxyphenyl)urea
1(5BENZYLSULFANYL134THIADIAZOL2YL)3(2METHOXYPHENYL)UREA
426235850
COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3
COc1ccccc1NC(=O)N=c1(nH)nc(s1)SCc1ccccc1
InChI=1SC17H16N4O2S2c123141065913(14)1815(22)1916202117(2516)2411127324812h210H11H21H3(H218192022)
MFCD03809266
ZINC000001245819
ZINC01245819
ZINC1245819

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Available files

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