Vitas-M small molecule compound

methyl 4-(4-fluorophenyl)-5-methyl-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate

Catalog ID
STK422907
SMILES COC(=O)c1c(NC(=O)CSc2ccccc2)sc(c1c1ccc(cc1)F)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 C21H18FNO3S2 MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FNO3S2/c1-13-18(14-8-10-15(22)11-9-14)19(21(25)26-2)20(28-13)23-17(24)12-27-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,23,24)
InChIKey
BGDQFCBOUNKVOB-UHFFFAOYSA-N
Synonyms

CC1=C(C(=C(S1)NC(=O)CSC2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)F
InChI=1SC21H18FNO3S2c11318(1481015(22)11914)19(21(25)262)20(2813)2317(24)1227166435716h311H12H212H3(H2324)
METHYL4(4FLUOROPHENYL)5METHYL2(((PHENYLSULFANYL)ACETYL)AMINO)3THIOPHENECARBOXYLATE
methyl4(4fluorophenyl)5methyl2(((phenylsulfanyl)acetyl)amino)thiophene3carboxylate
METHYL4(4FLUOROPHENYL)5METHYL2((2PHENYLSULFANYLACETYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL4(4FLUOROPHENYL)5METHYL2(2PHENYLTHIOACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD02177201
ZINC000000652012
ZINC00652012
ZINC652012

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Available files

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