Vitas-M small molecule compound

ethyl 4-(3-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

Catalog ID
STK152264
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/SC(=O)N(C1=O)CC(=O)OC

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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 C22H22N2O6S MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6S/c1-5-30-21(27)15-6-8-17(9-7-15)24-13(2)10-16(14(24)3)11-18-20(26)23(22(28)31-18)12-19(25)29-4/h6-11H,5,12H2,1-4H3/b18-11+
InChIKey
OGYUPEKKLGWONP-WOJGMQOQSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=O)S3)CC(=O)OC)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)CC(=O)OC
ETHYL4(3((E)(3(2METHOXY2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ETHYL4(3((E)(3(2METHOXY2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC22H22N2O6Sc153021(27)156817(9715)2413(2)1016(14(24)3)111820(26)23(22(28)3118)1219(25)294h611H512H214H3b1811+
MFCD03993060
ZINC000001136989
ZINC01136989
ZINC1136989

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Available files

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