Vitas-M small molecule compound
(4Z)-4-(2-ethoxy-5-nitrobenzylidene)-2-(methylsulfanyl)-1,3-thiazol-5(4H)-one
Catalog ID
STK521765
SMILES CCOc1ccc(cc1/C=C/1\N=C(SC1=O)SC)[N+](=O)[O-]
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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 C13H12N2O4S2 MW 324.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O4S2/c1-3-19-11-5-4-9(15(17)18)6-8(11)7-10-12(16)21-13(14-10)20-2/h4-7H,3H2,1-2H3/b10-7-InChIKey
NKEYNBGMBXJBNY-YFHOEESVSA-NSynonyms
(4Z)4((2ETHOXY5NITROPHENYL)METHYLIDENE)2METHYLSULFANYL13THIAZOL5ONE
(4Z)4(2ethoxy5nitrobenzylidene)2(methylsulfanyl)13thiazol5(4H)one
CCOC1=C(C=C(C=C1)(N+)(=O)(O))C=C2C(=O)SC(=N2)SC
CCOc1ccc(cc1C=C1N=C(SC1=O)SC)(N+)(=O)(O)
InChI=1SC13H12N2O4S2c131911549(15(17)18)68(11)71012(16)2113(1410)202h47H3H212H3b107
MFCD03718990
ZINC000000462002
ZINC00462002
ZINC462002
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