Vitas-M small molecule compound
2-methoxy-4-{(E)-[3-(4-nitrophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate
Catalog ID
STL418522
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)C)/C=C\1/SC(=S)N(C1=O)c1ccc(cc1)[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 C25H18N2O6S2 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O6S2/c1-15-4-3-5-17(12-15)24(29)33-20-11-6-16(13-21(20)32-2)14-22-23(28)26(25(34)35-22)18-7-9-19(10-8-18)27(30)31/h3-14H,1-2H3/b22-14+InChIKey
VMVCJRDBZDEHKE-HYARGMPZSA-NSynonyms
(2methoxy4((E)(3(4nitrophenyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)3methylbenzoate
2methoxy4((E)(3(4nitrophenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3methylbenzoate
CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)(N+)(=O)(O))OC
COc1cc(ccc1OC(=O)c1cccc(c1)C)C=C1SC(=S)N(C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H18N2O6S2c11543517(1215)24(29)332011616(1321(20)322)142223(28)26(25(34)3522)187919(10818)27(30)31h314H12H3b2214+
MFCD01963600
ZINC000009296575
ZINC09296575
ZINC9296575
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