Vitas-M small molecule compound
methyl 2-[(5E)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
Catalog ID
STL417040
SMILES COC(=O)c1ccccc1N1C(=S)S/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])C)/C1=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 C23H16N2O6S2 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O6S2/c1-13-7-8-14(11-18(13)25(28)29)19-10-9-15(31-19)12-20-21(26)24(23(32)33-20)17-6-4-3-5-16(17)22(27)30-2/h3-12H,1-2H3/b20-12+InChIKey
GQSHNWJYKKYJIA-UDWIEESQSA-NSynonyms
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)C4=CC=CC=C4C(=O)OC)(N+)(=O)(O)
COC(=O)c1ccccc1N1C(=S)SC(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))C)C1=O
InChI=1SC23H16N2O6S2c1137814(1118(13)25(28)29)1910915(3119)122021(26)24(23(32)3320)17643516(17)22(27)302h312H12H3b2012+
METHYL2((5E)5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZOATE
methyl2((5E)5((5(4methyl3nitrophenyl)furan2yl)methylidene)4oxo2thioxo13thiazolidin3yl)benzoate
MFCD02630489
ZINC000002994107
ZINC02994107
ZINC2994107
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