Vitas-M small molecule compound

2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 2,4-dinitrobenzoate

Catalog ID
STK756360
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/SC(=S)N(C1=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 C20H15N3O8S2 MW 489.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O8S2/c1-3-30-16-8-11(9-17-18(24)21(2)20(32)33-17)4-7-15(16)31-19(25)13-6-5-12(22(26)27)10-14(13)23(28)29/h4-10H,3H2,1-2H3/b17-9+
InChIKey
MYSFWULYBYQNFF-RQZCQDPDSA-N
Synonyms

(2ETHOXY4((E)(3METHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)24DINITROBENZOATE
2ethoxy4((E)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl24dinitrobenzoate
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=C1SC(=S)N(C1=O)C
InChI=1SC20H15N3O8S2c133016811(91718(24)21(2)20(32)3317)4715(16)3119(25)136512(22(26)27)1014(13)23(28)29h410H3H212H3b179+
MFCD01239679
ZINC000012411508
ZINC12411508

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Available files

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