Vitas-M small molecule compound

2-ethoxy-4-{(Z)-[2-(methylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}-6-nitrophenyl acetate

Catalog ID
STK521613
SMILES CCOc1cc(/C=C/2\N=C(SC2=O)SC)cc(c1OC(=O)C)[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 C15H14N2O6S2 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O6S2/c1-4-22-12-7-9(5-10-14(19)25-15(16-10)24-3)6-11(17(20)21)13(12)23-8(2)18/h5-7H,4H2,1-3H3/b10-5-
InChIKey
HQCKSFVJIGPESQ-YHYXMXQVSA-N
Synonyms

(2ETHOXY4((Z)(2METHYLSULFANYL5OXIDANYLIDENE13THIAZOL4YLIDENE)METHYL)6NITROPHENYL)ETHANOATE
(2ETHOXY4((Z)(2METHYLSULFANYL5OXO13THIAZOL4YLIDENE)METHYL)6NITROPHENYL)ACETATE
2ETHOXY4((2(METHYLTHIO)5OXO13THIAZOL4(5H)YLIDENE)METHYL)6NITROPHENYLACETATE
2ethoxy4((Z)(2(methylsulfanyl)5oxo13thiazol4(5H)ylidene)methyl)6nitrophenylacetate
ACETICACID(2ETHOXY4((Z)(2(METHYLTHIO)5OXO4THIAZOLYLIDENE)METHYL)6NITROPHENYL)ESTER
ACETICACID(2ETHOXY4((Z)(5KETO2(METHYLTHIO)2THIAZOLIN4YLIDENE)METHYL)6NITROPHENYL)ESTER
CCOC1=CC(=CC(=C1OC(=O)C)(N+)(=O)(O))C=C2C(=O)SC(=N2)SC
CCOc1cc(C=C2N=C(SC2=O)SC)cc(c1OC(=O)C)(N+)(=O)(O)
InChI=1SC15H14N2O6S2c14221279(51014(19)2515(1610)243)611(17(20)21)13(12)238(2)18h57H4H213H3b105
MFCD02376508
ZINC000004755101
ZINC04755101
ZINC4755101

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Available files

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