Vitas-M small molecule compound

(2E)-4-{[5-benzyl-3-(methoxycarbonyl)-4-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid

Catalog ID
STK064750
SMILES COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(c1C)Cc1ccccc1

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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 C18H17NO5S MW 359.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5S/c1-11-13(10-12-6-4-3-5-7-12)25-17(16(11)18(23)24-2)19-14(20)8-9-15(21)22/h3-9H,10H2,1-2H3,(H,19,20)(H,21,22)/b9-8+
InChIKey
HTYFKYNJJYRMJB-CMDGGOBGSA-N
Synonyms
1164481-94-0
(2E)3(N(3(METHOXYCARBONYL)4METHYL5BENZYL(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((5BENZYL3(METHOXYCARBONYL)4METHYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
(E)4((5BENZYL3METHOXYCARBONYL4METHYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
1164481940
5BENZYL2(3CARBOXYACRYLOYLAMINO)4METHYLTHIOPHENE3CARBOXYLICACIDMETHYLESTER
CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC(=O)O)CC2=CC=CC=C2
COC(=O)c1c(NC(=O)C=CC(=O)O)sc(c1C)Cc1ccccc1
InChI=1SC18H17NO5Sc11113(10126435712)2517(16(11)18(23)242)1914(20)8915(21)22h39H10H212H3(H1920)(H2122)b98+
MFCD01120070
STK064750
ZINC000001807166
ZINC1807166

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Available files

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