Vitas-M small molecule compound
methyl 4-{2-methoxy-4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-3-nitrobenzoate
Catalog ID
STL427888
SMILES COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1OC)/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 C20H16N2O7S2 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O7S2/c1-21-18(23)17(31-20(21)30)9-11-4-6-15(16(8-11)27-2)29-14-7-5-12(19(24)28-3)10-13(14)22(25)26/h4-10H,1-3H3/b17-9+InChIKey
WQFDRCTYWYCEOH-RQZCQDPDSA-NSynonyms
CN1C(=O)C(=CC2=CC(=C(C=C2)OC3=C(C=C(C=C3)C(=O)OC)(N+)(=O)(O))OC)SC1=S
COC(=O)c1ccc(c(c1)(N+)(=O)(O))Oc1ccc(cc1OC)C=C1SC(=S)N(C1=O)C
InChI=1SC20H16N2O7S2c12118(23)17(3120(21)30)9114615(16(811)272)29147512(19(24)283)1013(14)22(25)26h410H13H3b179+
METHYL3NITRO4(2METHOXY4((3METHYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)BENZOATE
METHYL4(2METHOXY4((E)(3METHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)3NITROBENZOATE
methyl4(2methoxy4((E)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)3nitrobenzoate
MFCD01590275
ZINC000008749205
ZINC08749205
ZINC8749205
Check stock
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