Vitas-M small molecule compound
[(5Z)-5-(2-chloro-5-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK392857
SMILES OC(=O)CN1C(=S)S/C(=C\c2cc(ccc2Cl)[N+](=O)[O-])/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/c13-8-2-1-7(15(19)20)3-6(8)4-9-11(18)14(5-10(16)17)12(21)22-9/h1-4H,5H2,(H,16,17)/b9-4-InChIKey
BWPWULDRWQFRMW-WTKPLQERSA-NSynonyms
((5Z)5(2chloro5nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((2CHLORO5NITROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
C1=CC(=C(C=C1(N+)(=O)(O))C=C2C(=O)N(C(=S)S2)CC(=O)O)Cl
InChI=1SC12H7ClN2O5S2c138217(15(19)20)36(8)4911(18)14(510(16)17)12(21)229h14H5H2(H1617)b94
MFCD11853472
OC(=O)CN1C(=S)SC(=Cc2cc(ccc2Cl)(N+)(=O)(O))C1=O
ZINC000002897440
ZINC2897440
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