Vitas-M small molecule compound
3-[(5E)-5-(2-chloro-5-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK139704
SMILES OC(=O)CCN1C(=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 C13H9ClN2O5S2 MW 372.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9ClN2O5S2/c14-9-2-1-8(16(20)21)5-7(9)6-10-12(19)15(13(22)23-10)4-3-11(17)18/h1-2,5-6H,3-4H2,(H,17,18)/b10-6+InChIKey
JHCHXPYFCOTUOJ-UXBLZVDNSA-NSynonyms
3((5E)5((2CHLORO5NITROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3((5E)5(2CHLORO5NITROBENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOICACID
C1=CC(=C(C=C1(N+)(=O)(O))C=C2C(=O)N(C(=S)S2)CCC(=O)O)Cl
InChI=1SC13H9ClN2O5S2c149218(16(20)21)57(9)61012(19)15(13(22)2310)4311(17)18h1256H34H2(H1718)b106+
MFCD03994484
OC(=O)CCN1C(=S)SC(=Cc2cc(ccc2Cl)(N+)(=O)(O))C1=O
ZINC000002832529
ZINC2832529
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