Vitas-M small molecule compound
methyl 4-{[(2E,5Z)-5-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Catalog ID
STL374668
SMILES COC(=O)c1ccc(cc1)/N=C\1/S/C(=C\c2cc(n(c2C)c2cccc(c2C)C)C)/C(=O)N1C
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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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-16-8-7-9-23(18(16)3)30-17(2)14-21(19(30)4)15-24-25(31)29(5)27(34-24)28-22-12-10-20(11-13-22)26(32)33-6/h7-15H,1-6H3/b24-15-,28-27+InChIKey
FXMRCKWYBPYCSW-ZKEFIBFISA-NSynonyms
COC(=O)c1ccc(cc1)N=C1SC(=Cc2cc(n(c2C)c2cccc(c2C)C)C)C(=O)N1C
methyl4(((2E5Z)5((1(23dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)3methyl4oxo13thiazolidin2ylidene)amino)benzoate
MFCD02954117
ZINC000008438907
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