Vitas-M small molecule compound

(4Z)-4-(4-ethoxy-3-methylbenzylidene)-2-(prop-2-en-1-ylsulfanyl)-1,3-thiazol-5(4H)-one

Catalog ID
STK521827
SMILES C=CCSC1=N/C(=C\c2ccc(c(c2)C)OCC)/C(=O)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 C16H17NO2S2 MW 319.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO2S2/c1-4-8-20-16-17-13(15(18)21-16)10-12-6-7-14(19-5-2)11(3)9-12/h4,6-7,9-10H,1,5,8H2,2-3H3/b13-10-
InChIKey
DRJGASODOBCNLC-RAXLEYEMSA-N
Synonyms

(4Z)4((4ETHOXY3METHYLPHENYL)METHYLIDENE)2PROP2ENYLSULFANYL13THIAZOL5ONE
(4Z)4(4ethoxy3methylbenzylidene)2(prop2en1ylsulfanyl)13thiazol5(4H)one
C=CCSC1=NC(=Cc2ccc(c(c2)C)OCC)C(=O)S1
CCOC1=C(C=C(C=C1)C=C2C(=O)SC(=N2)SCC=C)C
InChI=1SC16H17NO2S2c14820161713(15(18)2116)10126714(1952)11(3)912h467910H158H223H3b1310
MFCD03709717
ZINC000003003259
ZINC03003259
ZINC3003259

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Available files

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