Vitas-M small molecule compound

ethyl 5-acetyl-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK806628
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)OC)sc(c1C)C(=O)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 C20H21NO5S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5S/c1-5-26-20(24)17-12(2)18(13(3)22)27-19(17)21-16(23)11-8-14-6-9-15(25-4)10-7-14/h6-11H,5H2,1-4H3,(H,21,23)/b11-8+
InChIKey
MXLLVRWTVCHGGP-DHZHZOJOSA-N
Synonyms
301305-68-0
(E)ethyl5acetyl2(3(4methoxyphenyl)acrylamido)4methylthiophene3carboxylate
301305680
5ACETYL2(3(4METHOXYPHENYL)ACRYLOYLAMINO)4METHYLTHIOPHENE3CARBOXYLIC
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C=CC2=CC=C(C=C2)OC
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)OC)sc(c1C)C(=O)C
ETHYL2((2E)3(4METHOXYPHENYL)PROP2ENOYLAMINO)5ACETYL4METHYLTHIOPHENE3CARBOXYLATE
ethyl5acetyl2(((2E)3(4methoxyphenyl)prop2enoyl)amino)4methylthiophene3carboxylate
ETHYL5ACETYL2(((E)3(4METHOXYPHENYL)PROP2ENOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H21NO5Sc152620(24)1712(2)18(13(3)22)2719(17)2116(23)118146915(254)10714h611H5H214H3(H2123)b118+
MFCD01071543
ZINC000000799682
ZINC00799682
ZINC799682

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Available files

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