Vitas-M small molecule compound
2-ethoxy-4-{(Z)-[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}-3-nitrophenyl acetate
Catalog ID
STK509349
SMILES CCOc1c(ccc(c1[N+](=O)[O-])/C=C/1\N=C(SC1=O)SCC)OC(=O)C
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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 C16H16N2O6S2 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O6S2/c1-4-23-14-12(24-9(3)19)7-6-10(13(14)18(21)22)8-11-15(20)26-16(17-11)25-5-2/h6-8H,4-5H2,1-3H3/b11-8-InChIKey
TXBQYUBGQCWFSY-FLIBITNWSA-NSynonyms
(2ETHOXY4((Z)(2ETHYLSULFANYL5OXO13THIAZOL4YLIDENE)METHYL)3NITROPHENYL)ACETATE
2ETHOXY4((2(ETHYLTHIO)5OXO13THIAZOL4(5H)YLIDENE)METHYL)3NITROPHENYLACETATE
2ethoxy4((Z)(2(ethylsulfanyl)5oxo13thiazol4(5H)ylidene)methyl)3nitrophenylacetate
CCOC1=C(C=CC(=C1(N+)(=O)(O))C=C2C(=O)SC(=N2)SCC)OC(=O)C
CCOc1c(ccc(c1(N+)(=O)(O))C=C1N=C(SC1=O)SCC)OC(=O)C
InChI=1SC16H16N2O6S2c14231412(249(3)19)7610(13(14)18(21)22)81115(20)2616(1711)2552h68H45H213H3b118
MFCD02378309
ZINC000003000632
ZINC03000632
ZINC3000632
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