Vitas-M small molecule compound

ethyl {[(5Z)-5-(phenylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}acetate

Catalog ID
STK847012
SMILES CCOC(=O)CSc1n[nH]/c(=N/c2ccccc2)/s1

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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 C12H13N3O2S2 MW 295.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S2/c1-2-17-10(16)8-18-12-15-14-11(19-12)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14)
InChIKey
CLMLPSJEUWZDRN-UHFFFAOYSA-N
Synonyms
52494-15-2
52494152
CCOC(=O)CSC1=NN=C(S1)NC2=CC=CC=C2
CCOC(=O)CSc1n(nH)c(=Nc2ccccc2)s1
ethyl(((5Z)5(phenylimino)45dihydro134thiadiazol2yl)sulfanyl)acetate
ETHYL2((5ANILINO134THIADIAZOL2YL)SULFANYL)ACETATE
InChI=1SC12H13N3O2S2c121710(16)81812151411(1912)139643579h37H28H21H3(H1314)
MFCD03800715
ZINC000001302962
ZINC01302962
ZINC1302962

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Available files

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