Vitas-M small molecule compound

methyl 3-({N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(methylsulfonyl)glycyl}amino)-4-methylbenzoate

Catalog ID
STL026445
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)C)c1cc(ccc1Cl)C(F)(F)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 C19H18ClF3N2O5S MW 478.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClF3N2O5S/c1-11-4-5-12(18(27)30-2)8-15(11)24-17(26)10-25(31(3,28)29)16-9-13(19(21,22)23)6-7-14(16)20/h4-9H,10H2,1-3H3,(H,24,26)
InChIKey
PUHDWEKEDCSGBQ-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C
InChI=1SC19H18ClF3N2O5Sc1114512(18(27)302)815(11)2417(26)1025(31(328)29)16913(19(2122)23)6714(16)20h49H10H213H3(H2426)
METHYL3((2(2CHLORONMETHYLSULFONYL5(TRIFLUOROMETHYL)ANILINO)ACETYL)AMINO)4METHYLBENZOATE
methyl3((N(2chloro5(trifluoromethyl)phenyl)N(methylsulfonyl)glycyl)amino)4methylbenzoate
MFCD03706462
ZINC000001140290
ZINC01140290
ZINC1140290

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Available files

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