Vitas-M small molecule compound

methyl 4-(4-chlorophenyl)-2-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}-5-methylthiophene-3-carboxylate

Catalog ID
STK450249
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccco2)sc(c1c1ccc(cc1)Cl)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 C20H16ClNO4S MW 401.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClNO4S/c1-12-17(13-5-7-14(21)8-6-13)18(20(24)25-2)19(27-12)22-16(23)10-9-15-4-3-11-26-15/h3-11H,1-2H3,(H,22,23)/b10-9+
InChIKey
UGMBYRPIHJWYHF-MDZDMXLPSA-N
Synonyms

CC1=C(C(=C(S1)NC(=O)C=CC2=CC=CO2)C(=O)OC)C3=CC=C(C=C3)Cl
COC(=O)c1c(NC(=O)C=Cc2ccco2)sc(c1c1ccc(cc1)Cl)C
InChI=1SC20H16ClNO4Sc11217(135714(21)8613)18(20(24)252)19(2712)2216(23)1091543112615h311H12H3(H2223)b109+
METHYL2((2E)3(2FURYL)PROP2ENOYLAMINO)4(4CHLOROPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
methyl4(4chlorophenyl)2(((2E)3(furan2yl)prop2enoyl)amino)5methylthiophene3carboxylate
METHYL4(4CHLOROPHENYL)2(((E)3(FURAN2YL)PROP2ENOYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD02606366
ZINC000002761016
ZINC02761016
ZINC2761016

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Available files

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