Vitas-M small molecule compound
methyl 3-(3-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoate
Catalog ID
STK027936
SMILES C#CCN1C(=O)S/C(=C/c2cc(n(c2C)c2cccc(c2C)C(=O)OC)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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-6-10-23-20(25)19(29-22(23)27)12-16-11-13(2)24(15(16)4)18-9-7-8-17(14(18)3)21(26)28-5/h1,7-9,11-12H,10H2,2-5H3/b19-12+InChIKey
UKHYJIUHMIRKHJ-XDHOZWIPSA-NSynonyms
C#CCN1C(=O)SC(=Cc2cc(n(c2C)c2cccc(c2C)C(=O)OC)C)C1=O
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC#C
InChI=1SC22H20N2O4Sc16102320(25)19(2922(23)27)12161113(2)24(15(16)4)1897817(14(18)3)21(26)285h1791112H10H225H3b1912+
METHYL3(3((E)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
METHYL3(3((E)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOATE
MFCD03728438
STK027936
ZINC000000981420
ZINC00981420
ZINC981420
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