Vitas-M small molecule compound
(4Z)-4-(2-chloro-5-nitrobenzylidene)-2-(prop-2-en-1-ylsulfanyl)-1,3-thiazol-5(4H)-one
Catalog ID
STK521776
SMILES [O-][N+](=O)c1cc(/C=C/2\N=C(SC2=O)SCC=C)c(cc1)Cl
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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 C13H9ClN2O3S2 MW 340.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9ClN2O3S2/c1-2-5-20-13-15-11(12(17)21-13)7-8-6-9(16(18)19)3-4-10(8)14/h2-4,6-7H,1,5H2/b11-7-InChIKey
CTDVUORBCWIUSC-XFFZJAGNSA-NSynonyms
(4Z)4((2CHLORO5NITROPHENYL)METHYLIDENE)2PROP2ENYLSULFANYL13THIAZOL5ONE
(4Z)4(2chloro5nitrobenzylidene)2(prop2en1ylsulfanyl)13thiazol5(4H)one
(O)(N+)(=O)c1cc(C=C2N=C(SC2=O)SCC=C)c(cc1)Cl
C=CCSC1=NC(=CC2=C(C=CC(=C2)(N+)(=O)(O))Cl)C(=O)S1
InChI=1SC13H9ClN2O3S2c12520131511(12(17)2113)7869(16(18)19)3410(8)14h2467H15H2b117
MFCD03708339
ZINC000004845043
ZINC04845043
ZINC4845043
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