Vitas-M small molecule compound
4-{(E)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Catalog ID
STK823688
SMILES CCC(N1C(=S)S/C(=C/c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])/C1=O)C
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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 C21H18N2O5S2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S2/c1-3-13(2)22-19(24)18(30-21(22)29)11-14-7-9-17(10-8-14)28-20(25)15-5-4-6-16(12-15)23(26)27/h4-13H,3H2,1-2H3/b18-11+InChIKey
KQBJDCVCFROSHS-WOJGMQOQSA-NSynonyms
(4((E)(3BUTAN2YL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3NITROBENZOATE
4((E)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
CCC(C)N1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))SC1=S
CCC(N1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2cccc(c2)(N+)(=O)(O))C1=O)C
InChI=1SC21H18N2O5S2c1313(2)2219(24)18(3021(22)29)11147917(10814)2820(25)1554616(1215)23(26)27h413H3H212H3b1811+
MFCD03464189
ZINC000027020679
ZINC000027020685
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