Vitas-M small molecule compound
[(5E)-5-(4-chloro-3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428135
SMILES OC(=O)CN1C(=S)S/C(=C/c2ccc(c(c2)[N+](=O)[O-])Cl)/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 C12H7ClN2O5S2 MW 358.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7ClN2O5S2/c13-7-2-1-6(3-8(7)15(19)20)4-9-11(18)14(5-10(16)17)12(21)22-9/h1-4H,5H2,(H,16,17)/b9-4+InChIKey
MCOUEQRPOHYVLX-RUDMXATFSA-NSynonyms
((5E)5(4chloro3nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(5(4CHLORO3NITROBENZYLIDENE)4OXO2THIOXOTHIAZOLIDIN3YL)ACETICACID
2((5E)5((4CHLORO3NITROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
2(5((4CHLORO3NITROPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
C1=CC(=C(C=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)(N+)(=O)(O))Cl
InChI=1SC12H7ClN2O5S2c137216(38(7)15(19)20)4911(18)14(510(16)17)12(21)229h14H5H2(H1617)b94+
MFCD00659103
OC(=O)CN1C(=S)SC(=Cc2ccc(c(c2)(N+)(=O)(O))Cl)C1=O
ZINC000003044220
ZINC3044220
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