Vitas-M small molecule compound

diethyl 5-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK806579
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)F)sc(c1C)C(=O)OCC

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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 C20H20FNO5S MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FNO5S/c1-4-26-19(24)16-12(3)17(20(25)27-5-2)28-18(16)22-15(23)11-8-13-6-9-14(21)10-7-13/h6-11H,4-5H2,1-3H3,(H,22,23)/b11-8+
InChIKey
QCTRQECFPKBRIB-DHZHZOJOSA-N
Synonyms
325850-89-3
325850893
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C=CC2=CC=C(C=C2)F
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)F)sc(c1C)C(=O)OCC
diethyl5(((2E)3(4fluorophenyl)prop2enoyl)amino)3methylthiophene24dicarboxylate
DIETHYL5(((E)3(4FLUOROPHENYL)PROP2ENOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL2((2E)3(4FLUOROPHENYL)PROP2ENOYLAMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H20FNO5Sc142619(24)1612(3)17(20(25)2752)2818(16)2215(23)118136914(21)10713h611H45H213H3(H2223)b118+
MFCD01166056
ZINC000000834793
ZINC00834793
ZINC834793

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Available files

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