Vitas-M small molecule compound
2-methoxy-4-{(E)-[3-(4-nitrophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl methanesulfonate
Catalog ID
STL418906
SMILES COc1cc(ccc1OS(=O)(=O)C)/C=C\1/SC(=S)N(C1=O)c1ccc(cc1)[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 C18H14N2O7S3 MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O7S3/c1-26-15-9-11(3-8-14(15)27-30(2,24)25)10-16-17(21)19(18(28)29-16)12-4-6-13(7-5-12)20(22)23/h3-10H,1-2H3/b16-10+InChIKey
WRXQVXHSLNHHOR-MHWRWJLKSA-NSynonyms
(2METHOXY4((E)(3(4NITROPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)METHANESULFONATE
2methoxy4((E)(3(4nitrophenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenylmethanesulfonate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)(N+)(=O)(O))OS(=O)(=O)C
COc1cc(ccc1OS(=O)(=O)C)C=C1SC(=S)N(C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H14N2O7S3c12615911(3814(15)2730(224)25)101617(21)19(18(28)2916)124613(7512)20(22)23h310H12H3b1610+
MFCD03143405
ZINC000013546254
ZINC13546254
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