Vitas-M small molecule compound
4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Catalog ID
STK008486
SMILES O=C1S/C(=C/c2ccc(cc2)C(=O)O)/C(=O)N1Cc1cccc(c1)[N+](=O)[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(9-11-4-6-13(7-5-11)17(22)23)27-18(24)19(16)10-12-2-1-3-14(8-12)20(25)26/h1-9H,10H2,(H,22,23)/b15-9+InChIKey
RHUXRQIHMDTANE-OQLLNIDSSA-NSynonyms
4((E)(3((3NITROPHENYL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
4((E)(3(3NITROBENZYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
C1=CC(=CC(=C1)(N+)(=O)(O))CN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=O
InChI=1SC18H12N2O6Sc211615(9114613(7511)17(22)23)2718(24)19(16)101221314(812)20(25)26h19H10H2(H2223)b159+
MFCD08049300
O=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1Cc1cccc(c1)(N+)(=O)(O)
STK008486
ZINC000004550841
ZINC4550841
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