Vitas-M small molecule compound
3-[(5E)-5-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STL035451
SMILES OC(=O)CCN1C(=S)S/C(=C/c2ccc(o2)c2ccc(cc2[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 C18H14N2O6S2 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O6S2/c1-10-2-4-12(13(8-10)20(24)25)14-5-3-11(26-14)9-15-17(23)19(18(27)28-15)7-6-16(21)22/h2-5,8-9H,6-7H2,1H3,(H,21,22)/b15-9+InChIKey
WEGNOMAYESZSQM-OQLLNIDSSA-NSynonyms
3((5E)5((5(4methyl2nitrophenyl)furan2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoicacid
3((5E)5((5(4methyl2nitrophenyl)furan2yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCC(=O)O)(N+)(=O)(O)
InChI=1SC18H14N2O6S2c1102412(13(810)20(24)25)145311(2614)91517(23)19(18(27)2815)7616(21)22h2589H67H21H3(H2122)b159+
MFCD05151357
OC(=O)CCN1C(=S)SC(=Cc2ccc(o2)c2ccc(cc2(N+)(=O)(O))C)C1=O
ZINC000002381865
ZINC2381865
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