Vitas-M small molecule compound
2-nitro-4-{(Z)-[5-oxo-2-(prop-2-en-1-ylsulfanyl)-1,3-thiazol-4(5H)-ylidene]methyl}phenyl acetate
Catalog ID
STK521722
SMILES C=CCSC1=N/C(=C\c2ccc(c(c2)[N+](=O)[O-])OC(=O)C)/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 C15H12N2O5S2 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N2O5S2/c1-3-6-23-15-16-11(14(19)24-15)7-10-4-5-13(22-9(2)18)12(8-10)17(20)21/h3-5,7-8H,1,6H2,2H3/b11-7-InChIKey
JXXSGIFPJNAMHA-XFFZJAGNSA-NSynonyms
(2nitro4((Z)(5oxo2prop2enylsulfanyl13thiazol4ylidene)methyl)phenyl)acetate
2nitro4((Z)(5oxo2(prop2en1ylsulfanyl)13thiazol4(5H)ylidene)methyl)phenylacetate
C=CCSC1=NC(=Cc2ccc(c(c2)(N+)(=O)(O))OC(=O)C)C(=O)S1
CC(=O)OC1=C(C=C(C=C1)C=C2C(=O)SC(=N2)SCC=C)(N+)(=O)(O)
InChI=1SC15H12N2O5S2c13623151611(14(19)2415)7104513(229(2)18)12(810)17(20)21h3578H16H22H3b117
MFCD13370903
ZINC000015016428
ZINC15016428
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