Vitas-M small molecule compound

methyl 3-({(1E)-2-[(3-chloro-4-fluorophenyl)sulfonyl]-3-methoxy-3-oxoprop-1-en-1-yl}amino)thiophene-2-carboxylate

Catalog ID
STL133280
SMILES COC(=O)/C(=C\Nc1ccsc1C(=O)OC)/S(=O)(=O)c1ccc(c(c1)Cl)F

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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 C16H13ClFNO6S2 MW 433.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClFNO6S2/c1-24-15(20)13(8-19-12-5-6-26-14(12)16(21)25-2)27(22,23)9-3-4-11(18)10(17)7-9/h3-8,19H,1-2H3/b13-8+
InChIKey
NFNGDRRWGWUAOV-MDWZMJQESA-N
Synonyms

COC(=O)C(=CNc1ccsc1C(=O)OC)S(=O)(=O)c1ccc(c(c1)Cl)F
COC(=O)C1=C(C=CS1)NC=C(C(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)F)Cl
InChI=1SC16H13ClFNO6S2c12415(20)13(81912562614(12)16(21)252)27(2223)93411(18)10(17)79h3819H12H3b138+
methyl3(((1E)2((3chloro4fluorophenyl)sulfonyl)3methoxy3oxoprop1en1yl)amino)thiophene2carboxylate
methyl3(((E)2(3chloro4fluorophenyl)sulfonyl3methoxy3oxoprop1enyl)amino)thiophene2carboxylate
MFCD20753600
ZINC000067340399
ZINC67340399

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Available files

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