Vitas-M small molecule compound

4-{(Z)-[5-oxo-2-(prop-2-en-1-ylsulfanyl)-1,3-thiazol-4(5H)-ylidene]methyl}phenyl propanoate

Catalog ID
STK521580
SMILES CCC(=O)Oc1ccc(cc1)/C=C/1\N=C(SC1=O)SCC=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 C16H15NO3S2 MW 333.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO3S2/c1-3-9-21-16-17-13(15(19)22-16)10-11-5-7-12(8-6-11)20-14(18)4-2/h3,5-8,10H,1,4,9H2,2H3/b13-10-
InChIKey
WUOXVQVBKXCYPV-RAXLEYEMSA-N
Synonyms

(4((Z)(5OXO2PROP2ENYLSULFANYL13THIAZOL4YLIDENE)METHYL)PHENYL)PROPANOATE
4((Z)(5oxo2(prop2en1ylsulfanyl)13thiazol4(5H)ylidene)methyl)phenylpropanoate
CCC(=O)OC1=CC=C(C=C1)C=C2C(=O)SC(=N2)SCC=C
CCC(=O)Oc1ccc(cc1)C=C1N=C(SC1=O)SCC=C
InChI=1SC16H15NO3S2c13921161713(15(19)2216)10115712(8611)2014(18)42h35810H149H22H3b1310
MFCD03708528
ZINC000003000599
ZINC03000599
ZINC3000599

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Available files

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