Vitas-M small molecule compound

methyl [(5E)-5-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Catalog ID
STK063086
SMILES COC(=O)CN1C(=O)S/C(=C/c2cc(n(c2C)c2ccc(cc2)O)C)/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 C19H18N2O5S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5S/c1-11-8-13(12(2)21(11)14-4-6-15(22)7-5-14)9-16-18(24)20(19(25)27-16)10-17(23)26-3/h4-9,22H,10H2,1-3H3/b16-9+
InChIKey
NRNVMWAVEMFGBL-CXUHLZMHSA-N
Synonyms

CC1=CC(=C(N1C2=CC=C(C=C2)O)C)C=C3C(=O)N(C(=O)S3)CC(=O)OC
COC(=O)CN1C(=O)SC(=Cc2cc(n(c2C)c2ccc(cc2)O)C)C1=O
InChI=1SC19H18N2O5Sc111813(12(2)21(11)144615(22)7514)91618(24)20(19(25)2716)1017(23)263h4922H10H213H3b169+
METHYL((5E)5((1(4HYDROXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL2((5E)5((1(4HYDROXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
MFCD05625339
STK063086
ZINC000006044032
ZINC06044032
ZINC6044032

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Available files

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