Vitas-M small molecule compound
3-{[(5Z)-5-(2-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzoic acid
Catalog ID
STK739695
SMILES OC(=O)c1cccc(c1)CN1C(=O)S/C(=C\c2ccccc2[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 C18H12N2O6S MW 384.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O6S/c21-16-15(9-12-5-1-2-7-14(12)20(25)26)27-18(24)19(16)10-11-4-3-6-13(8-11)17(22)23/h1-9H,10H2,(H,22,23)/b15-9-InChIKey
UIEKPGCTBLUXNF-DHDCSXOGSA-NSynonyms
(E)3((5(2nitrobenzylidene)24dioxothiazolidin3yl)methyl)benzoicacid
3(((5Z)5((2NITROPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)METHYL)BENZOICACID
3(((5Z)5(2nitrobenzylidene)24dioxo13thiazolidin3yl)methyl)benzoicacid
C1=CC=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)(N+)(=O)(O)
InChI=1SC18H12N2O6Sc211615(912512714(12)20(25)26)2718(24)19(16)101143613(811)17(22)23h19H10H2(H2223)b159
MFCD09501071
OC(=O)c1cccc(c1)CN1C(=O)SC(=Cc2ccccc2(N+)(=O)(O))C1=O
ZINC000002352843
ZINC2352843
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