Vitas-M small molecule compound
4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-bromo-6-methoxyphenyl thiophene-2-carboxylate
Catalog ID
STK393875
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)Cc2ccccc2)cc(c1OC(=O)c1cccs1)Br
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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 C23H16BrNO4S3 MW 546.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrNO4S3/c1-28-17-11-15(10-16(24)20(17)29-22(27)18-8-5-9-31-18)12-19-21(26)25(23(30)32-19)13-14-6-3-2-4-7-14/h2-12H,13H2,1H3/b19-12+InChIKey
KJFUBQUXMHRYJH-XDHOZWIPSA-NSynonyms
(4((E)(3benzyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2bromo6methoxyphenyl)thiophene2carboxylate
2BROMO6METHOXY4((4OXO3BENZYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PHENYLTHIOPHENE2CARBOXYLATE
4((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2bromo6methoxyphenylthiophene2carboxylate
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)Br)OC(=O)C4=CC=CS4
COc1cc(C=C2SC(=S)N(C2=O)Cc2ccccc2)cc(c1OC(=O)c1cccs1)Br
InChI=1SC23H16BrNO4S3c128171115(1016(24)20(17)2922(27)188593118)121921(26)25(23(30)3219)13146324714h212H13H21H3b1912+
MFCD03648985
ZINC000097964123
ZINC97964123
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