Vitas-M small molecule compound

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

Catalog ID
STK155599
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C/1\SC(=O)N(C1=O)C(C)C

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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 C22H24N2O4S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S/c1-6-28-21(26)16-8-7-9-18(11-16)24-14(4)10-17(15(24)5)12-19-20(25)23(13(2)3)22(27)29-19/h7-13H,6H2,1-5H3/b19-12-
InChIKey
ZHYVGXGGXOBUMF-UNOMPAQXSA-N
Synonyms

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=O)S3)C(C)C)C
CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)C(C)C
ETHYL3(25DIMETHYL3((3(METHYLETHYL)24DIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PYRROLYL)BENZOATE
ETHYL3(3((Z)(24DIOXO3(PROPAN2YL)13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ETHYL3(3((Z)(24DIOXO3PROPAN2YL13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC22H24N2O4Sc162821(26)1687918(1116)2414(4)1017(15(24)5)121920(25)23(13(2)3)22(27)2919h713H6H215H3b1912
MFCD04041283
ZINC000004107022
ZINC04107022
ZINC4107022

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Available files

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