Vitas-M small molecule compound
methyl 4-{2-methoxy-4-[(E)-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-3-nitrobenzoate
Catalog ID
STL367855
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(=O)OC)/C=C\1/SC(=S)N(C1=O)c1ccccc1
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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 C25H18N2O7S2 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O7S2/c1-32-21-12-15(13-22-23(28)26(25(35)36-22)17-6-4-3-5-7-17)8-10-20(21)34-19-11-9-16(24(29)33-2)14-18(19)27(30)31/h3-14H,1-2H3/b22-13+InChIKey
PWSYOUDFUOBGIF-LPYMAVHISA-NSynonyms
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3)OC4=C(C=C(C=C4)C(=O)OC)(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(=O)OC)C=C1SC(=S)N(C1=O)c1ccccc1
InChI=1SC25H18N2O7S2c132211215(132223(28)26(25(35)3622)176435717)81020(21)341911916(24(29)332)1418(19)27(30)31h314H12H3b2213+
methyl4(2methoxy4((E)(4oxo3phenyl2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)3nitrobenzoate
methyl4(2methoxy4((E)(4oxo3phenyl2thioxo13thiazolidin5ylidene)methyl)phenoxy)3nitrobenzoate
MFCD28951954
ZINC000105965377
ZINC105965377
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