Vitas-M small molecule compound

ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-{[(3-fluorophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK085471
SMILES CCOC(=O)c1c(NC(=O)c2cccc(c2)F)sc(c1C)C(=O)Nc1cc(ccc1Cl)C(F)(F)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 C23H17ClF4N2O4S MW 528.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClF4N2O4S/c1-3-34-22(33)17-11(2)18(35-21(17)30-19(31)12-5-4-6-14(25)9-12)20(32)29-16-10-13(23(26,27)28)7-8-15(16)24/h4-10H,3H2,1-2H3,(H,29,32)(H,30,31)
InChIKey
AXBKZFIYHWGCML-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)C3=CC(=CC=C3)F
CCOC(=O)c1c(NC(=O)c2cccc(c2)F)sc(c1C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
ETHYL5((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)2(((3FLUOROPHENYL)CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)2((3FLUOROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5(N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)2((3FLUOROPHENYL)CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H17ClF4N2O4Sc133422(33)1711(2)18(3521(17)3019(31)1254614(25)912)20(32)29161013(23(2627)28)7815(16)24h410H3H212H3(H2932)(H3031)
MFCD01874238
STK085471
ZINC000002948317
ZINC2948317

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Available files

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