Vitas-M small molecule compound
2-ethoxy-6-nitro-4-{(Z)-[5-oxo-2-(prop-2-en-1-ylsulfanyl)-1,3-thiazol-4(5H)-ylidene]methyl}phenyl acetate
Catalog ID
STK521868
SMILES C=CCSC1=N/C(=C\c2cc(OCC)c(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 C17H16N2O6S2 MW 408.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6S2/c1-4-6-26-17-18-12(16(21)27-17)7-11-8-13(19(22)23)15(25-10(3)20)14(9-11)24-5-2/h4,7-9H,1,5-6H2,2-3H3/b12-7-InChIKey
VGKDCUBFONAPQD-GHXNOFRVSA-NSynonyms
(2ETHOXY6NITRO4((Z)(5OXO2PROP2ENYLSULFANYL13THIAZOL4YLIDENE)METHYL)PHENYL)ACETATE
2ethoxy6nitro4((Z)(5oxo2(prop2en1ylsulfanyl)13thiazol4(5H)ylidene)methyl)phenylacetate
4((2(ALLYLTHIO)5OXO13THIAZOL4(5H)YLIDENE)METHYL)2ETHOXY6NITROPHENYLACETATE
C=CCSC1=NC(=Cc2cc(OCC)c(c(c2)(N+)(=O)(O))OC(=O)C)C(=O)S1
CCOC1=CC(=CC(=C1OC(=O)C)(N+)(=O)(O))C=C2C(=O)SC(=N2)SCC=C
InChI=1SC17H16N2O6S2c14626171812(16(21)2717)711813(19(22)23)15(2510(3)20)14(911)2452h479H156H223H3b127
MFCD03723227
ZINC000002834044
ZINC02834044
ZINC2834044
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