Vitas-M small molecule compound
2-methoxy-4-{(Z)-[3-(3-nitrophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl methanesulfonate
Catalog ID
STL418953
SMILES COc1cc(ccc1OS(=O)(=O)C)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)[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/c1-26-15-8-11(6-7-14(15)27-30(2,24)25)9-16-17(21)19(18(28)29-16)12-4-3-5-13(10-12)20(22)23/h3-10H,1-2H3/b16-9-InChIKey
PTEJILJJQJUXFJ-SXGWCWSVSA-NSynonyms
(2METHOXY4((Z)(3(3NITROPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)METHANESULFONATE
2methoxy4((Z)(3(3nitrophenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenylmethanesulfonate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=CC=C3)(N+)(=O)(O))OS(=O)(=O)C
COc1cc(ccc1OS(=O)(=O)C)C=C1SC(=S)N(C1=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC18H14N2O7S3c12615811(6714(15)2730(224)25)91617(21)19(18(28)2916)1243513(1012)20(22)23h310H12H3b169
MFCD30707286
ZINC000033399154
ZINC33399154
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