Vitas-M small molecule compound
4-[(E)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Catalog ID
STK809195
SMILES CCCCN1C(=S)S/C(=C/c2ccc(cc2)OC(=O)c2cccc(c2)[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 C21H18N2O5S2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S2/c1-2-3-11-22-19(24)18(30-21(22)29)12-14-7-9-17(10-8-14)28-20(25)15-5-4-6-16(13-15)23(26)27/h4-10,12-13H,2-3,11H2,1H3/b18-12+InChIKey
VBKRIMWLAOCZPN-LDADJPATSA-NSynonyms
(4((E)(3BUTYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3NITROBENZOATE
4((E)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
CCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))SC1=S
CCCCN1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC21H18N2O5S2c123112219(24)18(3021(22)29)12147917(10814)2820(25)1554616(1315)23(26)27h4101213H2311H21H3b1812+
MFCD03461254
ZINC000016790609
ZINC16790609
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