Vitas-M small molecule compound

methyl 3-(3-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

Catalog ID
STK387673
SMILES COC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C/1\SC(=O)N(C1=O)Cc1ccc(cc1)F

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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 C25H21FN2O4S MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O4S/c1-15-11-19(16(2)28(15)21-6-4-5-18(12-21)24(30)32-3)13-22-23(29)27(25(31)33-22)14-17-7-9-20(26)10-8-17/h4-13H,14H2,1-3H3/b22-13-
InChIKey
DQHUJQLZKBAUGE-XKZIYDEJSA-N
Synonyms

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F
COC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)Cc1ccc(cc1)F
InChI=1SC25H21FN2O4Sc1151119(16(2)28(15)2164518(1221)24(30)323)132223(29)27(25(31)3322)14177920(26)10817h413H14H213H3b2213
METHYL3(3((3((4FLUOROPHENYL)METHYL)24DIOXO(13THIAZOLIDIN5YLIDENE))METHYL)25DIMETHYLPYRROLYL)BENZOATE
METHYL3(3((3(4FLUOROBENZYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL3(3((Z)(3((4FLUOROPHENYL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
METHYL3(3((Z)(3(4FLUOROBENZYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
MFCD02953830
ZINC000004090441
ZINC04090441
ZINC4090441

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.